data_2lj1_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 2lj1 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.671 ' HB2' HD12 ' A' ' 63' ' ' LEU . 4.2 m . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.594 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 15.2 m-85 -125.35 153.08 43.88 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.303 -178.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -108.28 127.9 54.27 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 176.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.756 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -79.55 139.22 37.6 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.94 -171.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.2 -42.0 89.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.809 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.409 ' CZ ' ' HE2' ' A' ' 59' ' ' TYR . 35.5 p90 -152.07 -179.48 7.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.007 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.505 ' HB3' ' H ' ' A' ' 27' ' ' ASP . 29.8 p -83.54 150.16 26.13 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.344 0.592 . . . . 0.0 111.78 -176.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.594 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 58.4 t80 -134.18 137.5 44.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.866 -174.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.4 ' HA ' HD13 ' A' ' 16' ' ' ILE . 50.6 mm -107.27 128.08 26.68 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 31.0 Cg_exo -59.74 132.67 46.69 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.667 2.245 . . . . 0.0 112.378 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -104.37 -29.62 10.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.152 0.977 . . . . 0.0 108.843 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -113.73 151.63 31.65 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.033 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -73.73 0.12 13.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.841 0.353 . . . . 0.0 111.196 -177.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.438 ' O ' HG23 ' A' ' 54' ' ' THR . 10.6 m-20 -97.73 -14.34 20.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.577 175.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -83.88 169.65 14.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.468 0.651 . . . . 0.0 111.725 -176.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.698 HD11 ' HG3' ' A' ' 51' ' ' GLN . 19.6 tp -110.61 140.85 44.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.626 -174.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.529 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.6 tt0 -77.92 116.02 18.1 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 172.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.756 HD13 ' CB ' ' A' ' 11' ' ' ALA . 1.1 tm? -110.28 135.68 50.64 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.747 -170.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.464 ' HA ' ' HD3' ' A' ' 26' ' ' ARG . 26.1 mmt180 -116.13 146.5 42.21 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.754 0.312 . . . . 0.0 110.18 176.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.505 ' H ' ' HB3' ' A' ' 14' ' ' SER . 0.8 OUTLIER -50.64 124.17 10.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.42 -176.767 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.24 30.44 60.76 Favored Glycine 0 C--O 1.228 -0.239 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.984 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -88.75 150.96 22.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.594 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.4 mp -100.11 139.56 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.0 141.7 45.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.366 0.603 . . . . 0.0 111.41 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.528 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 3.6 m-20 -125.51 126.26 44.58 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.726 -1.124 . . . . 0.0 108.663 174.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.827 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.32 126.54 37.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 122.117 0.96 . . . . 0.0 112.611 -171.465 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.775 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 93.4 mmm -81.25 -37.21 28.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.024 177.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -158.84 142.15 14.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.173 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.6 ' H ' ' HD2' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -91.53 128.05 37.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.974 -179.666 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.8 m -95.12 131.66 40.89 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 172.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -70.09 -12.42 61.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.392 -173.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -78.51 -12.99 60.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.88 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.08 -14.0 4.92 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 119.481 -1.342 . . . . 0.0 115.349 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.462 ' HB3' ' HA ' ' A' ' 56' ' ' PRO . 3.9 p90 -113.98 163.48 15.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.795 1.298 . . . . 0.0 110.636 -176.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.438 ' CE2' ' HA3' ' A' ' 57' ' ' GLY . 8.4 m-85 -124.55 166.49 15.97 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.827 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.3 t -90.64 155.73 3.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 169.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.528 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -156.46 153.48 24.75 Favored Glycine 0 C--N 1.303 -1.251 0 C-N-CA 119.371 -1.395 . . . . 0.0 113.068 -174.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 9.4 m -110.76 128.96 55.94 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.1 t -78.77 139.64 38.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.339 0.59 . . . . 0.0 110.912 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.547 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -70.67 -10.67 59.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.254 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -72.89 -88.37 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.179 0.514 . . . . 0.0 111.346 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.425 HG21 ' HG2' ' A' ' 51' ' ' GLN . 2.6 t -98.15 15.9 22.91 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.528 -175.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm 60.73 33.16 20.25 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.362 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.698 ' HG3' HD11 ' A' ' 23' ' ' LEU . 11.2 pt20 -92.72 153.32 19.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.222 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.493 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 6.0 p90 -117.13 121.01 40.08 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.728 0.775 . . . . 0.0 110.283 -176.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.685 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.5 156.96 23.36 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 114.749 -1.114 . . . . 0.0 111.448 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.618 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.8 t -101.69 143.94 31.01 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 117.675 0.737 . . . . 0.0 110.731 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.483 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 50.1 p90 -166.59 166.54 8.92 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.9 177.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.483 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 53.1 Cg_exo -52.86 133.78 52.36 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.666 2.244 . . . . 0.0 112.938 -178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.438 ' HA3' ' CE2' ' A' ' 42' ' ' PHE . . . -87.36 -9.11 73.33 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.789 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -99.46 11.39 39.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.03 0.919 . . . . 0.0 109.006 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.534 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 3.5 t80 -100.24 -11.22 20.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.374 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.634 HG22 ' HA ' ' A' ' 11' ' ' ALA . 13.5 p -120.22 156.8 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.923 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.603 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.494 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 15.3 ptmt -120.97 160.74 43.71 Favored Pre-proline 0 C--N 1.324 -0.503 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.654 -176.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 11.3 Cg_endo -52.26 142.9 44.85 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.16 2.573 . . . . 0.0 111.558 175.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.671 HD12 ' HB2' ' A' ' 8' ' ' SER . 82.4 mt -47.38 127.95 11.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.677 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.251 1.133 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.445 -175.577 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.528 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 13.4 m-85 -126.34 154.89 42.89 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -177.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.447 ' HB2' HD23 ' A' ' 63' ' ' LEU . 29.7 tt0 -108.94 126.16 52.79 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.603 ' HA ' HG22 ' A' ' 60' ' ' VAL . . . -79.53 133.86 36.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.493 0.664 . . . . 0.0 110.753 -174.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.515 HD22 ' CD ' ' A' ' 61' ' ' LYS . 16.7 mt -65.56 -36.96 85.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.529 -171.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -150.36 169.01 22.42 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.23 -176.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.7 p -78.13 143.03 37.64 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.902 0.382 . . . . 0.0 110.223 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.548 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 5.6 t80 -130.93 130.09 43.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 -172.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 16' ' ' ILE . 51.5 mm -94.48 127.16 45.12 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 52.2 Cg_exo -52.44 135.97 55.45 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.561 2.841 . . . . 0.0 113.353 -176.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -87.34 -36.55 17.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -122.24 158.99 28.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.983 178.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -74.75 -9.68 58.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -82.34 -17.31 46.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.104 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -93.29 171.66 8.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.577 0.704 . . . . 0.0 111.567 -173.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.703 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 23.6 tp -98.4 142.7 29.71 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.845 -174.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.503 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 7.0 tt0 -77.36 115.45 17.15 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 169.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.548 ' HB3' ' CB ' ' A' ' 15' ' ' TYR . 2.0 tm? -102.0 135.92 42.73 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.961 -170.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.491 ' HB2' ' HD3' ' A' ' 48' ' ' ARG . 25.6 mmt180 -119.58 148.16 43.64 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.12 137.4 58.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.233 0.54 . . . . 0.0 111.834 -173.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.39 24.53 76.79 Favored Glycine 0 CA--C 1.509 -0.304 0 CA-C-N 114.867 -1.06 . . . . 0.0 112.707 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 26' ' ' ARG . 7.8 t0 -88.3 142.23 27.91 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.534 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 2.5 mp -98.65 129.25 49.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.424 HG22 ' HA3' ' A' ' 44' ' ' GLY . 3.3 p -109.52 135.07 49.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-O 121.551 0.691 . . . . 0.0 111.191 -176.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.465 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 3.8 m-20 -121.05 124.68 45.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.787 174.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.896 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -76.38 120.57 26.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.708 0.766 . . . . 0.0 112.008 -175.118 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.669 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 22.8 mmt -82.72 -36.7 25.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.172 178.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 43' ' ' VAL . 7.5 tp10 -156.55 152.97 27.96 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -98.41 124.95 43.38 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.149 0.5 . . . . 0.0 111.254 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.8 m -82.46 135.97 35.01 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -61.4 -21.38 64.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.734 -173.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -63.21 -33.31 75.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 0.0 110.703 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.93 -0.14 7.14 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.276 -175.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.505 ' CE3' ' HA ' ' A' ' 56' ' ' PRO . 4.7 m95 -93.14 162.12 14.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.485 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 5.8 m-85 -127.37 162.47 26.23 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 176.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.896 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.9 t -89.23 151.63 3.45 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.718 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -150.27 155.65 26.32 Favored Glycine 0 C--N 1.304 -1.24 0 C-N-CA 119.858 -1.163 . . . . 0.0 112.95 -170.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.1 m -115.99 127.84 55.25 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.752 -0.263 . . . . 0.0 110.59 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 11.4 t -79.1 129.56 34.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.149 0.499 . . . . 0.0 110.837 178.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.579 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -79.75 -22.17 43.58 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.288 176.658 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.491 ' HD3' ' HB2' ' A' ' 26' ' ' ARG . 40.5 mtp180 -87.11 -40.87 14.25 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.495 -174.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.401 HG22 ' OG ' ' A' ' 46' ' ' SER . 14.6 t -110.48 2.98 19.19 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.726 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 46' ' ' SER . 68.6 mmtt 51.02 41.09 26.94 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 176.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -118.87 161.16 20.63 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -117.39 117.22 28.9 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.869 0.843 . . . . 0.0 110.134 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.703 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.92 157.24 23.65 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.551 -179.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.589 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.8 t -101.55 143.22 31.8 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 117.508 0.654 . . . . 0.0 110.612 178.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.482 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 52.3 p90 -164.9 168.02 9.2 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.476 -177.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.505 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 52.3 Cg_exo -54.55 134.08 60.08 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.331 2.021 . . . . 0.0 113.248 -178.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.85 -7.95 59.59 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.044 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -94.35 26.35 3.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.688 0.756 . . . . 0.0 109.437 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.452 ' HH ' ' HB2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -123.57 -10.58 7.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.086 -175.155 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.603 HG22 ' HA ' ' A' ' 11' ' ' ALA . 14.0 p -118.31 156.5 20.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.319 -171.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.515 ' CD ' HD22 ' A' ' 12' ' ' LEU . 33.0 mtpt -116.48 153.07 48.83 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.925 0.393 . . . . 0.0 111.747 -176.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -56.72 147.93 68.6 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.743 2.962 . . . . 0.0 112.103 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 10' ' ' GLN . 80.8 mt -60.02 126.95 29.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.41 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.5 t80 . . . . . 0 C--O 1.25 1.13 0 O-C-N 124.668 1.23 . . . . 0.0 112.244 -177.33 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.662 ' HB2' HD12 ' A' ' 63' ' ' LEU . 3.5 m . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.511 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 35.0 m-85 -127.88 154.76 45.13 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.569 ' HB2' HD23 ' A' ' 63' ' ' LEU . 45.9 tt0 -109.34 127.28 54.2 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.645 ' HA ' HG22 ' A' ' 60' ' ' VAL . . . -80.02 138.45 37.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.493 0.663 . . . . 0.0 112.041 -170.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mt -72.92 -36.01 67.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.821 -176.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -140.38 172.78 12.24 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.451 -174.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.5 p -92.28 133.9 35.41 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.404 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.676 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 36.7 t80 -108.94 129.17 55.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.381 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.462 ' HA ' HD13 ' A' ' 16' ' ' ILE . 49.7 mm -103.8 125.55 34.35 Favored Pre-proline 0 C--N 1.315 -0.894 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.1 Cg_exo -57.13 133.0 54.81 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 123.052 2.501 . . . . 0.0 113.112 -176.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -92.45 -41.66 10.17 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 172.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -114.38 159.02 20.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.06 -1.427 . . . . 0.0 108.623 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.09 -14.84 61.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.349 0.595 . . . . 0.0 109.692 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -71.54 -24.58 61.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.941 174.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -84.63 158.9 20.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.3 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.688 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 21.6 tp -101.9 145.8 28.72 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.504 -174.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.499 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.7 tt0 -77.8 115.04 17.24 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 170.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.676 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 2.6 tm? -111.89 134.85 53.18 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -173.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 16.5 mmt180 -112.94 157.73 21.11 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.122 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -58.59 132.95 55.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.178 0.514 . . . . 0.0 110.438 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.51 30.97 78.74 Favored Glycine 0 C--N 1.319 -0.375 0 CA-C-N 115.273 -0.876 . . . . 0.0 113.249 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -93.26 150.07 20.76 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.572 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 2.4 mp -100.0 134.44 39.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -176.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.488 ' HB ' ' HZ ' ' A' ' 55' ' ' PHE . 2.8 p -111.11 128.5 67.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.646 0.736 . . . . 0.0 111.487 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -115.76 120.44 39.32 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.527 -1.215 . . . . 0.0 108.181 171.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.879 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.29 122.1 29.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 122.018 0.913 . . . . 0.0 112.653 -172.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.66 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 94.8 mmm -81.82 -41.3 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 113.559 -1.655 . . . . 0.0 109.946 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.478 ' HB3' HG22 ' A' ' 43' ' ' VAL . 27.3 tt0 -144.92 145.39 31.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.71 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 34.0 mtmt -105.17 127.48 52.93 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.844 -171.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.665 ' HB2' ' O ' ' A' ' 41' ' ' TRP . 69.1 m -87.21 141.8 28.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 167.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.19 -5.97 31.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.454 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -165.9 93.66 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.654 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.97 -72.17 0.47 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.109 -1.043 . . . . 0.0 114.562 165.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.665 ' O ' ' HB2' ' A' ' 37' ' ' CYS . 16.0 m0 -104.85 152.05 23.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.159 0.504 . . . . 0.0 111.425 -170.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.439 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 13.5 m-85 -123.84 163.36 21.4 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 163.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.879 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.5 t -90.91 152.18 3.38 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 174.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -145.16 155.16 26.35 Favored Glycine 0 C--N 1.303 -1.283 0 C-N-CA 119.863 -1.16 . . . . 0.0 113.037 -171.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.1 m -113.07 128.03 56.38 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 175.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.501 ' N ' HD21 ' A' ' 23' ' ' LEU . 30.5 t -79.0 135.32 36.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.094 0.473 . . . . 0.0 110.548 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.594 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -76.11 -8.83 57.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.546 -179.724 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.411 ' CD ' ' HG3' ' A' ' 26' ' ' ARG . 39.3 mtp180 -84.29 -79.88 0.21 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.013 0.435 . . . . 0.0 110.996 177.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 t -82.7 -3.03 55.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.549 -173.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm 60.05 29.65 19.2 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.593 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -97.17 166.23 11.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.773 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -115.66 109.02 17.15 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.12 -173.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.688 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -134.26 155.74 22.03 Favored Glycine 0 C--O 1.221 -0.711 0 C-N-CA 121.111 -0.566 . . . . 0.0 111.958 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 6.9 t -102.29 144.52 30.69 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 117.201 0.5 . . . . 0.0 111.049 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.488 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 49.1 p90 -161.6 162.13 21.55 Favored Pre-proline 0 C--O 1.233 0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.989 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.35 134.16 59.74 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.661 2.241 . . . . 0.0 113.098 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.41 7.03 82.86 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.356 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -113.69 26.27 10.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 122.291 1.043 . . . . 0.0 108.977 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -120.71 -1.37 10.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.404 1.097 . . . . 0.0 108.134 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.645 HG22 ' HA ' ' A' ' 11' ' ' ALA . 11.7 p -123.37 158.84 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 114.259 -1.337 . . . . 0.0 109.787 -174.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.582 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 15.2 ptmt -123.25 163.59 33.01 Favored Pre-proline 0 C--O 1.226 -0.175 0 O-C-N 122.367 -0.208 . . . . 0.0 110.495 -177.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.582 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 12.2 Cg_endo -54.6 145.55 58.38 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 123.204 2.602 . . . . 0.0 112.503 176.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.662 HD12 ' HB2' ' A' ' 8' ' ' SER . 65.2 mt -52.68 140.81 22.53 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.308 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.148 179.499 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.748 ' HB2' HD12 ' A' ' 63' ' ' LEU . 4.9 m . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.506 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 17.9 m-85 -120.82 150.67 40.67 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.038 -178.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.68 ' HB2' HD23 ' A' ' 63' ' ' LEU . 52.5 tt0 -109.55 128.94 55.56 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.605 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.89 139.39 37.13 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.34 0.591 . . . . 0.0 111.736 -171.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.84 -45.76 88.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.812 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -152.27 178.91 9.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.715 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -77.43 140.22 39.83 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.228 0.537 . . . . 0.0 111.756 -174.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.69 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 42.4 t80 -127.65 139.88 52.44 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.819 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.2 mm -106.66 131.61 21.57 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.08 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.6 Cg_exo -57.82 133.35 55.55 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.889 2.393 . . . . 0.0 112.758 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -85.5 -36.2 20.69 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 173.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -126.48 163.46 23.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.129 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.6 -5.94 56.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.297 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -86.76 -14.29 42.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.064 0.459 . . . . 0.0 109.807 172.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 54' ' ' THR . 30.5 mt-10 -84.75 171.52 12.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.098 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.698 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 19.5 tp -111.05 139.0 46.77 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.472 -174.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.527 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.6 tt0 -77.27 116.17 17.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 170.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.69 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -112.85 135.57 53.46 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.704 -168.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.851 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 22.6 mmt180 -116.37 159.38 22.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.812 0.339 . . . . 0.0 110.522 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -58.72 136.03 57.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.588 0.709 . . . . 0.0 111.957 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.95 26.38 68.92 Favored Glycine 0 C--N 1.323 -0.14 0 CA-C-N 114.751 -1.113 . . . . 0.0 113.212 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -90.47 149.63 22.14 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.582 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 2.2 mp -99.76 140.41 19.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -176.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.469 HG23 ' HA3' ' A' ' 44' ' ' GLY . 3.5 p -119.12 130.84 73.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.532 0.682 . . . . 0.0 111.261 177.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.604 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 10.3 m-20 -114.88 121.82 44.39 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.527 173.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.886 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -75.92 121.43 27.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 122.021 0.915 . . . . 0.0 112.476 -172.426 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.713 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 92.3 mmm -81.7 -39.11 24.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 113.825 -1.534 . . . . 0.0 109.54 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.38 155.15 38.06 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 121.501 0.667 . . . . 0.0 110.63 175.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 22.7 mtmt -106.4 132.74 52.08 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.534 -1.212 . . . . 0.0 112.192 -171.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.3 m -107.5 135.06 49.61 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 168.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.17 -19.42 64.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.969 -173.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -68.96 -15.83 63.58 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.27 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.13 17.35 16.26 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.434 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -107.18 137.62 44.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.425 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 6.8 m-85 -125.02 164.44 20.15 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.176 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.886 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.5 t -90.51 156.32 3.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 169.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.604 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -157.46 154.65 25.72 Favored Glycine 0 C--N 1.305 -1.157 0 C-N-CA 119.232 -1.461 . . . . 0.0 113.339 -172.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 9.9 m -110.79 129.35 55.87 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 173.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.461 ' CB ' HG22 ' A' ' 49' ' ' THR . 30.8 t -78.5 132.73 37.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.126 0.488 . . . . 0.0 110.79 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.616 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -77.48 -19.47 55.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.729 179.564 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.851 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 52.6 mtt-85 -87.52 -65.56 1.0 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.373 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.461 HG22 ' CB ' ' A' ' 46' ' ' SER . 7.6 t -84.39 -4.33 58.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.595 -171.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt 57.72 30.61 19.19 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.973 175.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.8 160.77 17.02 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 1.6 p90 -116.91 114.2 23.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.789 0.804 . . . . 0.0 109.974 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.698 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -137.35 157.92 24.17 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 114.821 -1.082 . . . . 0.0 111.945 -177.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.565 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.8 t -101.19 145.72 28.44 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 117.341 0.571 . . . . 0.0 110.198 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.471 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 53.1 p90 -163.42 166.93 12.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.471 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 32.1 Cg_exo -56.23 133.36 57.54 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.388 2.059 . . . . 0.0 112.821 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.23 -6.66 81.15 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.725 176.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -94.68 26.45 3.5 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.433 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 7.0 t80 -129.88 -5.5 4.53 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.954 0.883 . . . . 0.0 109.116 -177.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 11' ' ' ALA . 10.9 p -120.61 157.8 23.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.084 -0.962 . . . . 0.0 108.944 -176.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.439 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 9.7 ptmm? -124.15 158.79 59.56 Favored Pre-proline 0 C--N 1.33 -0.28 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.966 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 9.8 Cg_endo -51.8 143.16 39.55 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 123.322 2.681 . . . . 0.0 112.332 175.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.748 HD12 ' HB2' ' A' ' 8' ' ' SER . 70.5 mt -52.96 141.68 21.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.831 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.2 t80 . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.996 173.827 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.552 ' HB2' HD12 ' A' ' 63' ' ' LEU . 5.1 m . . . . . 0 N--CA 1.446 -0.656 0 CA-C-O 120.952 0.406 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.543 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 25.4 m-85 -127.98 154.43 45.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.778 -179.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.659 ' HB2' HD23 ' A' ' 63' ' ' LEU . 35.5 tt0 -110.06 129.99 55.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.609 ' HA ' HG22 ' A' ' 60' ' ' VAL . . . -80.36 139.08 36.72 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.383 0.611 . . . . 0.0 112.373 -169.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.501 ' CD2' ' HD2' ' A' ' 61' ' ' LYS . 15.2 mt -74.19 -33.59 63.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.379 -177.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -139.2 168.33 20.06 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -177.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.3 p -87.57 134.79 33.57 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 123.462 0.476 . . . . 0.0 110.401 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.62 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 21.6 t80 -110.21 133.88 52.79 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -176.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.433 ' HA ' HD13 ' A' ' 16' ' ' ILE . 50.7 mm -107.91 128.06 26.5 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.583 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 31.5 Cg_exo -55.49 133.07 55.94 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.859 2.373 . . . . 0.0 112.775 -176.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.422 HE21 ' HB2' ' A' ' 18' ' ' GLN . 7.9 mt-30 -106.83 -32.09 8.09 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -114.88 161.44 18.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.772 -1.103 . . . . 0.0 109.545 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.56 -17.64 61.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.713 -173.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -101.02 3.87 41.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.929 0.395 . . . . 0.0 111.011 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -87.2 171.4 10.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.063 0.458 . . . . 0.0 110.553 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.663 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 16.3 tp -111.49 141.04 45.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.404 -170.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.583 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 5.2 tt0 -81.54 114.7 20.44 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 169.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.62 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 2.8 tm? -120.05 135.07 55.07 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.901 -165.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.922 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 18.4 tpt180 -100.49 154.21 18.73 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -64.06 139.38 58.76 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.57 28.6 72.73 Favored Glycine 0 C--N 1.316 -0.564 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.002 -176.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.516 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 28.7 t0 -95.45 151.74 19.02 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.2 mp -99.2 133.21 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.83 0.348 . . . . 0.0 110.192 -175.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.55 146.74 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.417 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.601 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 4.0 m-20 -128.21 131.0 48.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.887 175.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.913 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.75 121.14 28.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 122.127 0.965 . . . . 0.0 112.33 -176.027 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.586 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 18.6 mmt -88.01 -36.57 16.94 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 114.106 -1.406 . . . . 0.0 110.487 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.463 ' HB3' HG22 ' A' ' 43' ' ' VAL . 21.6 tt0 -146.88 145.22 29.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -106.49 133.24 51.48 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.605 -173.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.3 t -85.98 148.39 25.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.321 0.582 . . . . 0.0 109.856 170.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.69 -24.29 66.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.549 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -173.37 78.99 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.025 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.43 -87.24 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.183 -1.008 . . . . 0.0 112.479 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -133.72 173.21 11.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.043 0.449 . . . . 0.0 111.485 -175.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.455 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 13.5 m-85 -117.83 164.16 15.44 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 169.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.913 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.5 t -89.78 155.78 3.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 174.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.601 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -149.7 155.98 26.54 Favored Glycine 0 C--N 1.303 -1.253 0 C-N-CA 119.868 -1.158 . . . . 0.0 113.408 -168.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.1 m -117.4 127.42 54.02 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.3 t -88.26 139.93 30.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.954 0.407 . . . . 0.0 111.333 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.516 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . 4.4 mpt_? -71.02 -9.11 57.47 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.257 177.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.922 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 48.7 mtp180 -72.15 -63.56 1.12 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.117 0.484 . . . . 0.0 111.544 -174.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.534 HG21 ' HG2' ' A' ' 51' ' ' GLN . 9.4 t -123.19 14.04 9.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.614 0.721 . . . . 0.0 110.281 -177.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 51.18 38.25 20.57 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.009 -0.996 . . . . 0.0 112.835 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.576 ' HG3' ' CD1' ' A' ' 23' ' ' LEU . 4.1 pt20 -95.97 166.25 11.87 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -115.37 107.8 15.69 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.273 -171.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.663 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -134.08 153.26 20.86 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.794 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 11.9 t -101.91 146.39 27.91 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 117.165 0.482 . . . . 0.0 110.74 -176.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.45 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 50.6 p90 -165.1 162.13 14.31 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.372 175.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 57.0 Cg_exo -51.54 134.68 46.76 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.957 2.438 . . . . 0.0 113.597 -175.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.43 -9.52 75.62 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.559 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -98.91 21.65 11.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.647 0.737 . . . . 0.0 109.697 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -116.01 -6.72 11.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.757 -1.11 . . . . 0.0 108.625 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.609 HG22 ' HA ' ' A' ' 11' ' ' ALA . 12.0 p -122.49 156.28 27.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.229 -176.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.699 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 17.9 ptmt -125.68 164.08 34.97 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.774 0.321 . . . . 0.0 111.183 -174.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.699 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 18.1 Cg_endo -57.69 141.53 95.56 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 123.347 2.698 . . . . 0.0 112.668 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.659 HD23 ' HB2' ' A' ' 10' ' ' GLN . 64.6 mt -55.57 152.11 9.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.299 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 . . . . . 0 C--O 1.247 0.922 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.251 175.921 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.593 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 7.5 m-85 -127.4 155.04 44.26 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.714 -176.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.525 ' HA ' ' O ' ' A' ' 29' ' ' ASP . 9.0 tt0 -110.38 132.89 53.78 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.614 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.7 138.69 37.41 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.453 0.644 . . . . 0.0 111.493 -171.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -74.74 -32.51 62.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.67 -175.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.417 ' HB2' ' OH ' ' A' ' 59' ' ' TYR . 67.5 m-85 -141.09 177.99 7.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.39 -176.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 m -86.06 135.01 33.79 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.672 170.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.691 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 34.2 t80 -123.42 132.22 53.88 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.871 -176.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.471 ' HA ' HD13 ' A' ' 16' ' ' ILE . 50.9 mm -103.73 131.6 21.85 Favored Pre-proline 0 C--N 1.312 -1.062 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.899 -176.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.509 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 36.8 Cg_exo -55.25 131.78 48.35 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.979 2.452 . . . . 0.0 112.814 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -90.05 -37.98 13.9 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.041 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.423 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 5.1 m-20 -115.15 166.17 12.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.137 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -71.57 -18.67 62.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.057 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -83.96 -12.47 55.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.003 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.534 ' HA ' ' O ' ' A' ' 54' ' ' THR . 72.2 mt-10 -84.47 166.72 17.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.625 0.726 . . . . 0.0 111.949 -174.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.718 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 22.3 tp -107.35 142.38 37.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.315 -174.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.509 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 4.0 tt0 -78.87 116.67 19.35 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.037 174.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.691 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -113.18 135.57 53.67 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.704 -169.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 22.7 mmt180 -117.96 157.61 26.42 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 177.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -55.04 138.79 43.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.028 0.442 . . . . 0.0 111.019 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.37 34.84 89.11 Favored Glycine 0 C--N 1.32 -0.325 0 CA-C-N 115.336 -0.847 . . . . 0.0 113.601 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.525 ' O ' ' HA ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -98.5 155.99 17.0 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 175.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.593 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -104.51 135.98 39.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 p -110.65 128.99 66.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.606 0.717 . . . . 0.0 111.31 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.409 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 9.0 m-20 -120.46 116.49 25.55 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.339 -1.301 . . . . 0.0 108.108 173.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.918 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.8 124.24 34.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.884 0.85 . . . . 0.0 112.261 -172.172 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.589 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 95.7 mmm -87.77 -35.37 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.181 178.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.515 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 12.1 tp10 -148.58 144.46 27.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.68 177.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -107.33 108.06 19.27 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.933 -176.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.6 m -85.65 122.16 29.36 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.92 -5.82 6.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.78 -176.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -86.19 3.8 41.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.058 0.456 . . . . 0.0 110.781 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.96 4.76 31.3 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.722 -0.752 . . . . 0.0 113.637 173.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.425 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 21.1 m95 -114.52 138.48 50.57 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -177.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.406 ' CE2' ' HA3' ' A' ' 57' ' ' GLY . 6.0 m-85 -116.27 160.53 20.32 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 168.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.918 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.0 t -90.91 155.89 3.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 176.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -149.57 154.28 25.65 Favored Glycine 0 C--N 1.301 -1.392 0 C-N-CA 120.185 -1.007 . . . . 0.0 112.159 -173.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.1 m -110.91 129.8 55.77 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.437 ' N ' HD21 ' A' ' 23' ' ' LEU . 43.4 t -78.27 128.51 33.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.961 0.41 . . . . 0.0 110.967 -177.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.544 ' HD3' ' O ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -80.37 16.86 1.18 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.905 177.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -103.5 -67.92 0.86 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.679 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.414 HG21 ' HG3' ' A' ' 51' ' ' GLN . 11.0 t -111.22 14.49 21.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.797 -171.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt 58.51 31.88 21.51 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.414 ' HG3' HG21 ' A' ' 49' ' ' THR . 22.3 mt-30 -103.62 164.82 11.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.907 0.384 . . . . 0.0 111.071 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -117.78 112.9 21.03 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.343 -173.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.718 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.02 152.5 21.09 Favored Glycine 0 C--O 1.223 -0.547 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.889 178.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.594 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 8.9 t -102.07 143.81 31.44 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 117.494 0.647 . . . . 0.0 110.406 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -158.92 163.99 22.41 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.083 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.425 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 32.5 Cg_exo -56.92 133.26 56.79 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.496 2.13 . . . . 0.0 112.601 -177.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.406 ' HA3' ' CE2' ' A' ' 42' ' ' PHE . . . -92.89 12.26 70.3 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.972 -0.633 . . . . 0.0 112.816 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -107.3 14.22 26.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.293 0.568 . . . . 0.0 110.245 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.417 ' OH ' ' HB2' ' A' ' 13' ' ' TYR . 11.4 t80 -115.47 -3.42 12.39 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 122.001 0.905 . . . . 0.0 109.569 -175.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.461 HG22 ' HA ' ' A' ' 11' ' ' ALA . 11.3 p -119.75 158.63 21.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.694 -173.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.462 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 2.7 ptmm? -123.63 150.91 62.8 Favored Pre-proline 0 C--O 1.224 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 111.122 -177.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.81 146.18 79.64 Favored 'Trans proline' 0 N--CA 1.478 0.588 0 C-N-CA 123.939 3.093 . . . . 0.0 113.508 -177.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 10' ' ' GLN . 74.6 mt -64.19 160.31 18.76 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.252 176.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.614 -0.708 . . . . 0.0 111.41 178.782 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.41 ' HB2' HD12 ' A' ' 63' ' ' LEU . 3.4 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.58 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 8.7 m-85 -128.64 155.07 45.58 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -177.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.654 ' HB2' HD23 ' A' ' 63' ' ' LEU . 33.7 tt0 -111.26 130.22 55.73 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.607 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.74 140.33 36.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.482 0.658 . . . . 0.0 111.826 -171.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.673 HD22 ' HD3' ' A' ' 61' ' ' LYS . 13.7 mt -74.78 -32.58 62.07 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.118 -176.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -143.23 173.82 11.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.289 -176.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 m -82.81 148.01 28.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.082 0.468 . . . . 0.0 110.859 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.703 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 49.1 t80 -136.89 131.78 33.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.666 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.4 mm -104.55 132.6 20.78 Favored Pre-proline 0 C--N 1.312 -1.05 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.882 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.559 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 39.3 Cg_exo -56.86 132.9 54.51 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.59 2.194 . . . . 0.0 112.256 -177.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -89.52 -36.49 15.33 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -116.31 160.04 21.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.89 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.56 -14.6 61.67 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.368 -177.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.21 -12.73 54.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.176 0.512 . . . . 0.0 110.122 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 54' ' ' THR . 19.5 mt-10 -84.75 171.34 12.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.678 176.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.739 HD11 ' HB2' ' A' ' 46' ' ' SER . 17.4 tp -118.93 148.05 43.36 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.774 -174.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.559 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.6 tt0 -77.38 131.53 38.09 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.703 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.3 tm? -125.37 132.32 52.82 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.161 -172.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.692 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 7.1 tpt180 -111.53 158.85 18.7 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 26' ' ' ARG . 6.2 p-10 -58.31 131.22 50.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.363 0.601 . . . . 0.0 110.034 172.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.65 28.35 71.07 Favored Glycine 0 C--N 1.315 -0.605 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.881 -177.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.692 ' HB2' ' O ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER -91.66 157.51 16.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.875 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.58 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -107.17 147.16 12.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -176.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.421 ' CG1' ' HB2' ' A' ' 9' ' ' TYR . 2.6 p -108.73 127.48 65.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.651 0.739 . . . . 0.0 111.365 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.728 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 17.5 t70 -117.52 109.34 16.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.347 -1.297 . . . . 0.0 108.241 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.914 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -85.07 121.61 37.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 122.047 0.927 . . . . 0.0 112.557 -172.412 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.783 ' HE3' ' HB3' ' A' ' 52' ' ' PHE . 76.1 mtm -84.55 -36.72 21.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.368 178.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' O ' HG22 ' A' ' 43' ' ' VAL . 10.4 tp10 -148.35 140.05 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.668 ' H ' ' HD2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -107.57 125.63 51.54 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.994 -173.814 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 41' ' ' TRP . 77.8 m -82.34 144.09 30.81 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 168.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -70.77 -8.39 51.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -141.22 70.15 1.34 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.102 0.477 . . . . 0.0 112.188 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.52 -56.22 0.49 Allowed Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.128 -1.034 . . . . 0.0 115.365 162.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.489 ' O ' ' HB2' ' A' ' 37' ' ' CYS . 47.9 m95 -88.17 135.77 33.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.903 0.382 . . . . 0.0 111.985 -169.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.479 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 8.3 m-85 -123.13 160.09 27.19 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 166.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.914 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.8 t -91.43 160.32 2.71 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.868 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 176.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.728 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -153.58 155.75 26.35 Favored Glycine 0 C--N 1.308 -1.015 0 C-N-CA 119.776 -1.202 . . . . 0.0 113.4 -172.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 m -109.94 135.77 50.28 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 172.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.739 ' HB2' HD11 ' A' ' 23' ' ' LEU . 23.7 t -78.2 126.72 31.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.443 0.64 . . . . 0.0 110.962 -175.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.569 HH21 ' CG ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -60.73 -32.35 71.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.83 -179.497 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -93.61 -65.48 0.99 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.854 -172.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.2 t -88.29 0.63 55.93 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -171.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 57.2 33.32 23.14 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.174 0.511 . . . . 0.0 111.94 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -98.39 165.61 11.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.516 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.783 ' HB3' ' HE3' ' A' ' 34' ' ' MET . 46.1 m-85 -116.56 102.74 9.73 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.207 -175.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.625 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.58 152.26 20.88 Favored Glycine 0 C--O 1.222 -0.638 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.86 -175.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.595 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 14.7 t -101.65 147.56 26.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 117.059 0.43 . . . . 0.0 110.371 178.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -159.69 158.33 27.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.745 0.307 . . . . 0.0 110.506 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -61.99 133.84 46.52 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.9 2.4 . . . . 0.0 112.722 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.458 ' HA3' ' CE2' ' A' ' 42' ' ' PHE . . . -93.61 12.61 69.18 Favored Glycine 0 C--O 1.227 -0.291 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.358 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -105.3 14.4 28.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.374 0.607 . . . . 0.0 110.14 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -114.91 -4.36 12.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.194 0.997 . . . . 0.0 108.849 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.518 HG22 ' HA ' ' A' ' 11' ' ' ALA . 10.4 p -121.12 156.22 24.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.247 -171.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.673 ' HD3' HD22 ' A' ' 12' ' ' LEU . 25.4 mtpp -117.65 155.05 50.95 Favored Pre-proline 0 C--N 1.328 -0.361 0 C-N-CA 122.094 0.158 . . . . 0.0 110.853 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -51.78 144.25 35.5 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 123.47 2.78 . . . . 0.0 112.29 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.654 HD23 ' HB2' ' A' ' 10' ' ' GLN . 77.9 mt -50.48 126.85 16.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.489 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.865 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.54 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.621 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 32.2 m-85 -125.64 152.5 45.11 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -177.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.423 ' HG2' ' HA2' ' A' ' 28' ' ' GLY . 12.2 tt0 -109.37 131.13 55.35 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.58 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -79.9 135.35 36.41 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.283 0.563 . . . . 0.0 111.233 -174.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 mt -66.04 -39.05 89.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.596 -1.184 . . . . 0.0 111.959 -173.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -149.88 170.22 19.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.525 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.523 ' HB3' ' H ' ' A' ' 27' ' ' ASP . 52.2 p -83.58 146.99 28.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.596 -176.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.613 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 63.3 t80 -137.29 141.52 41.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.071 -175.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.428 ' HA ' HD13 ' A' ' 16' ' ' ILE . 49.4 mm -108.87 127.67 26.9 Favored Pre-proline 0 C--N 1.319 -0.747 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.543 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 44.6 Cg_exo -54.6 133.31 56.2 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 123.309 2.673 . . . . 0.0 112.884 -176.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -98.84 -30.97 12.1 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 175.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.529 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 52.2 m-80 -115.17 155.97 26.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.154 173.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -71.04 -21.42 62.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.377 0.608 . . . . 0.0 110.499 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -71.57 -20.44 62.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.669 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.529 ' HG3' ' HB2' ' A' ' 19' ' ' ASN . 90.5 mt-10 -84.92 154.51 22.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.473 0.654 . . . . 0.0 111.141 -175.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.682 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 17.5 tp -94.34 144.56 25.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.256 -175.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.543 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 5.9 tt0 -77.39 116.74 18.23 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 173.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.613 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 0.9 OUTLIER -106.97 130.71 54.57 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.218 -170.199 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.498 ' HG2' ' CZ ' ' A' ' 48' ' ' ARG . 16.0 mmt180 -115.32 146.1 41.85 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 173.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.523 ' H ' ' HB3' ' A' ' 14' ' ' SER . 7.5 p-10 -56.02 126.28 25.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.473 0.654 . . . . 0.0 111.115 -176.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.423 ' HA2' ' HG2' ' A' ' 10' ' ' GLN . . . 85.91 29.12 26.91 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 114.976 -1.011 . . . . 0.0 113.111 -176.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.463 ' OD2' ' HD3' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -85.96 147.88 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.724 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.621 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.6 mp -104.35 137.07 34.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 p -109.72 136.56 45.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.741 0.782 . . . . 0.0 112.169 -173.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.663 ' HB3' HH12 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -125.45 119.13 27.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.246 -1.343 . . . . 0.0 108.051 174.077 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.919 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -79.86 121.95 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 122.15 0.976 . . . . 0.0 112.77 -173.158 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.648 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 21.3 mmt -83.44 -40.84 18.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 113.866 -1.515 . . . . 0.0 110.275 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' HB3' HG22 ' A' ' 43' ' ' VAL . 30.6 tt0 -147.81 141.44 25.55 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 37.9 mtmt -100.66 127.28 47.12 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 -176.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.0 m -93.51 132.85 37.4 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 169.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.53 -17.67 55.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.897 -172.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.6 -22.5 60.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.06 7.68 9.21 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.31 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -101.76 139.32 37.57 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.441 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 5.4 m-85 -124.02 164.81 18.6 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.796 176.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.919 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.2 t -90.2 152.61 3.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 172.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.599 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -145.6 153.5 25.33 Favored Glycine 0 C--N 1.302 -1.343 0 C-N-CA 119.99 -1.1 . . . . 0.0 112.891 -171.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m -114.01 127.91 56.16 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.0 t -78.84 133.79 36.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.001 0.429 . . . . 0.0 111.029 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.663 HH12 ' HB3' ' A' ' 32' ' ' ASP . 4.5 mpt_? -67.45 -13.14 61.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.93 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.498 ' CZ ' ' HG2' ' A' ' 26' ' ' ARG . 13.3 mtp180 -84.53 -81.15 0.19 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.24 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 t -86.05 -0.94 56.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.648 -173.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt 60.43 29.11 18.75 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.555 178.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' ' 51' ' ' GLN . 13.2 mm-40 -90.54 162.49 15.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.411 178.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -115.95 107.84 15.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.846 -174.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.682 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.01 151.51 20.47 Favored Glycine 0 C--O 1.222 -0.647 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.994 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.585 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.0 t -101.42 144.39 30.28 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 117.337 0.569 . . . . 0.0 110.462 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -159.09 163.4 24.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.008 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -56.09 134.26 63.05 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.561 2.174 . . . . 0.0 112.611 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.91 -18.36 65.53 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.705 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -91.67 40.6 1.04 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.28 1.038 . . . . 0.0 108.607 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -136.15 -6.64 2.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.352 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' A' ' 11' ' ' ALA . 9.2 p -121.57 159.84 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.557 -173.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.464 ' HB2' ' HE3' ' A' ' 61' ' ' LYS . 11.1 ptmt -120.54 150.4 52.11 Favored Pre-proline 0 C--N 1.331 -0.231 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.949 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -60.82 146.89 96.77 Favored 'Trans proline' 0 N--CA 1.473 0.278 0 C-N-CA 123.579 2.853 . . . . 0.0 112.452 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.1 mt -60.98 126.87 28.95 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.299 175.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 p90 . . . . . 0 C--O 1.247 0.968 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.144 -175.365 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.579 ' HB2' HD12 ' A' ' 63' ' ' LEU . 4.1 m . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.581 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 25.3 m-85 -126.21 155.0 42.51 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.458 -175.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.654 ' HB2' HD23 ' A' ' 63' ' ' LEU . 32.9 tt0 -109.8 128.67 55.46 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.663 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -80.31 134.73 36.09 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.473 0.654 . . . . 0.0 111.302 -173.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.75 -41.55 99.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.468 -173.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -150.82 177.14 10.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.295 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 m -77.55 150.11 34.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.099 0.476 . . . . 0.0 111.885 -174.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.59 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 70.9 t80 -131.45 138.52 49.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.543 -177.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.441 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 49.8 mm -111.07 126.7 28.16 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 17.5 Cg_exo -63.48 131.85 33.39 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.546 2.164 . . . . 0.0 112.215 -177.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -84.54 -42.24 15.69 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 173.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -115.75 153.56 31.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.073 171.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.14 -3.35 22.77 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -77.38 -24.7 50.53 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 170.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -84.07 157.04 21.9 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.662 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.646 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 17.0 tp -98.86 139.35 34.67 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.695 -171.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.547 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 4.6 tt0 -78.31 115.68 18.2 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 172.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.663 HD13 ' CB ' ' A' ' 11' ' ' ALA . 1.5 tm? -113.02 134.38 54.54 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.935 -168.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.448 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 9.7 tpt180 -111.91 143.82 42.26 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 172.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -49.39 128.68 17.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.763 0.792 . . . . 0.0 111.616 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.45 25.3 59.22 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 114.641 -1.163 . . . . 0.0 113.392 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.443 ' O ' ' HA ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -78.78 149.24 32.68 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.138 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.581 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -104.63 132.01 52.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.1 p -109.52 131.64 59.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.765 0.793 . . . . 0.0 111.671 -175.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.49 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 34.7 t70 -115.85 112.28 21.7 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 113.905 -1.498 . . . . 0.0 107.877 173.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.845 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.59 125.16 36.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 122.016 0.912 . . . . 0.0 112.329 -171.386 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.441 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 94.5 mmm -88.28 -27.74 21.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.551 -177.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.826 ' HB3' HG22 ' A' ' 43' ' ' VAL . 34.1 tt0 -160.86 147.27 15.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.056 -177.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -97.3 118.21 33.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.047 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.4 m -91.08 129.2 37.11 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.41 -22.43 61.42 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.152 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -64.57 -21.36 66.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.251 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.15 4.72 15.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.046 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.468 ' CE3' ' HA ' ' A' ' 55' ' ' PHE . 12.3 m0 -105.36 155.01 19.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.407 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 14.3 m-85 -117.97 159.97 22.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 167.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.845 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 4.4 t -91.48 158.62 2.87 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 173.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.49 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -162.52 155.94 27.42 Favored Glycine 0 C--N 1.304 -1.246 0 C-N-CA 119.964 -1.112 . . . . 0.0 112.664 -171.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.7 m -109.91 132.46 54.13 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.37 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.536 ' OG ' ' HG2' ' A' ' 48' ' ' ARG . 46.0 t -78.04 140.62 39.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.062 -174.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.567 ' HD2' ' HB ' ' A' ' 30' ' ' ILE . 3.9 mmp_? -75.85 -33.51 60.03 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.676 0.751 . . . . 0.0 110.492 -177.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.536 ' HG2' ' OG ' ' A' ' 46' ' ' SER . 3.5 ptm180 -76.18 -46.73 27.11 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.486 -1.233 . . . . 0.0 112.582 -174.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.437 ' N ' ' HG3' ' A' ' 48' ' ' ARG . 10.4 t -121.19 4.56 10.33 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -170.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 50.83 30.16 4.92 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -82.95 160.59 22.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -115.83 101.3 8.68 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.646 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -134.24 149.73 19.85 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.846 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.698 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 5.3 t -101.09 143.33 31.33 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.849 0.357 . . . . 0.0 110.08 178.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.468 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 49.9 p90 -157.87 166.72 15.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 51.1 Cg_exo -54.29 132.54 51.21 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.289 1.993 . . . . 0.0 112.407 -178.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.7 -11.5 77.05 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.354 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.02 22.49 10.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.818 0.818 . . . . 0.0 109.68 177.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.407 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 3.0 t80 -113.29 -7.13 13.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.505 -1.225 . . . . 0.0 108.539 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 11' ' ' ALA . 10.3 p -121.26 154.53 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.286 -175.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.444 ' HE3' ' HB2' ' A' ' 61' ' ' LYS . 11.7 ptmt -122.71 150.29 58.02 Favored Pre-proline 0 C--N 1.328 -0.346 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.415 -176.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.18 141.83 47.44 Favored 'Trans proline' 0 N--CA 1.477 0.506 0 C-N-CA 123.952 3.101 . . . . 0.0 113.781 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.654 HD23 ' HB2' ' A' ' 10' ' ' GLN . 58.3 mt -58.51 149.52 25.15 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.239 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 . . . . . 0 C--O 1.249 1.043 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.198 -176.632 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.763 ' HB2' HD12 ' A' ' 63' ' ' LEU . 5.5 m . . . . . 0 N--CA 1.444 -0.735 0 CA-C-O 121.012 0.434 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.499 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 5.9 m-85 -122.05 151.84 40.43 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.509 ' HB2' HD23 ' A' ' 63' ' ' LEU . 25.9 tt0 -109.1 131.2 55.29 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.551 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.64 139.2 37.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.472 0.653 . . . . 0.0 111.37 -172.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -64.62 -40.2 95.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.168 -173.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.449 ' CZ ' ' HE2' ' A' ' 59' ' ' TYR . 36.2 p90 -151.74 -179.91 7.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.311 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.9 p -83.76 143.21 30.14 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 123.384 0.427 . . . . 0.0 111.603 -175.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.701 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 74.3 t80 -129.25 142.32 50.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.638 -175.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.412 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 50.4 mm -110.55 129.02 24.4 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.299 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 32.4 Cg_exo -58.73 134.98 64.13 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.465 2.777 . . . . 0.0 113.205 -177.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -88.67 -37.17 15.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 172.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -120.07 167.36 12.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.621 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -79.9 -5.86 56.34 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.33 -33.75 71.86 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.374 169.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.515 ' HA ' ' O ' ' A' ' 54' ' ' THR . 87.8 mt-10 -84.88 162.32 19.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.133 -171.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.691 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 20.4 tp -103.54 145.09 30.53 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.494 -1.23 . . . . 0.0 110.099 -175.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.49 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 7.2 tt0 -81.21 115.29 20.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 172.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.701 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -113.19 135.15 54.13 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.12 -165.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.734 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 22.0 tpt180 -106.9 156.46 18.68 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -59.57 137.23 58.09 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.219 173.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.413 ' HA2' ' HG2' ' A' ' 10' ' ' GLN . . . 64.85 28.11 72.98 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.879 -178.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -95.94 149.16 21.87 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.61 ' CG2' ' HB3' ' A' ' 8' ' ' SER . 2.5 mp -100.31 133.03 44.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 120.935 0.397 . . . . 0.0 110.72 -173.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.783 HG22 ' HA3' ' A' ' 44' ' ' GLY . 3.7 p -111.63 132.84 59.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.537 0.684 . . . . 0.0 111.191 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.603 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 4.1 m-20 -121.59 117.11 25.93 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.402 -1.272 . . . . 0.0 108.392 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.865 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -75.92 119.92 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.857 0.836 . . . . 0.0 112.442 -170.292 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.583 ' HE2' ' HE2' ' A' ' 52' ' ' PHE . 24.2 mmt -91.27 -32.1 15.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.574 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.525 ' O ' HG22 ' A' ' 43' ' ' VAL . 28.7 tt0 -146.03 146.74 31.08 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 37.0 mtmt -114.15 132.65 56.0 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -173.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 62.6 m -77.16 134.87 38.55 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 161.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.46 -25.13 34.82 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.617 0.573 . . . . 0.0 111.959 -169.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -160.56 81.36 0.67 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.867 0.365 . . . . 0.0 110.43 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.95 -94.57 0.11 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.394 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.479 ' CE3' ' HA ' ' A' ' 56' ' ' PRO . 0.6 OUTLIER -106.84 162.03 14.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.937 0.399 . . . . 0.0 110.914 -171.296 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.543 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 9.4 m-85 -128.2 169.34 14.26 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 174.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.865 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 5.9 t -90.4 169.53 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 175.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.783 ' HA3' HG22 ' A' ' 31' ' ' VAL . . . -162.22 155.46 26.75 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 119.957 -1.116 . . . . 0.0 112.684 -176.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.4 m -110.85 127.1 55.29 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.444 ' N ' HD21 ' A' ' 23' ' ' LEU . 44.4 t -78.87 133.51 36.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.938 0.399 . . . . 0.0 110.809 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.609 HH11 ' HG3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -77.14 4.51 10.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.678 177.828 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.734 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 65.8 mtp180 -85.35 -70.14 0.61 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.825 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -113.12 12.87 19.22 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.951 -174.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt 53.19 35.87 21.04 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 51' ' ' GLN . 13.6 mm-40 -98.37 164.75 12.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.194 175.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.583 ' HE2' ' HE2' ' A' ' 34' ' ' MET . 29.3 m-85 -115.91 108.68 16.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.631 -172.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.691 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.56 154.57 21.8 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.787 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.4 t -101.94 151.42 22.13 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 117.063 0.432 . . . . 0.0 110.545 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.602 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 49.5 p90 -164.86 168.47 8.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 176.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.531 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 69.0 Cg_exo -50.96 134.07 41.65 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.531 2.154 . . . . 0.0 113.738 -175.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.76 -11.04 66.3 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.412 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -94.23 17.81 12.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.671 0.748 . . . . 0.0 109.231 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.523 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 7.6 t80 -120.34 -6.44 9.84 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.228 -173.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.526 HG21 HG12 ' A' ' 31' ' ' VAL . 9.1 p -123.8 154.04 30.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.746 -176.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.465 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 10.0 ptmm? -123.61 158.37 59.44 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 120.423 0.154 . . . . 0.0 110.639 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 11.4 Cg_endo -52.74 150.97 20.76 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.304 2.669 . . . . 0.0 112.314 177.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' A' ' 8' ' ' SER . 60.9 mt -61.62 161.78 9.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.441 0.638 . . . . 0.0 112.286 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.9 p90 . . . . . 0 C--O 1.248 1.0 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.425 -177.414 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.514 ' HB2' HD12 ' A' ' 63' ' ' LEU . 7.6 m . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.532 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 20.3 m-85 -116.66 151.72 35.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.554 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.7 ' HB2' HD23 ' A' ' 63' ' ' LEU . 42.5 tt0 -110.07 128.99 55.75 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 174.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.656 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.62 139.85 37.31 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.449 0.642 . . . . 0.0 111.346 -173.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.56 HD22 ' HD3' ' A' ' 61' ' ' LYS . 13.1 mt -70.34 -37.32 74.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.946 -175.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.497 ' CZ ' ' HE2' ' A' ' 59' ' ' TYR . 46.2 p90 -151.93 -178.83 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.296 178.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.3 p -86.72 140.34 29.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.023 0.44 . . . . 0.0 111.463 -176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.698 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 60.4 t80 -125.23 139.99 53.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.08 -177.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 42.0 mm -110.36 129.87 23.48 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.07 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.545 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.4 Cg_exo -54.63 133.83 59.03 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.386 2.724 . . . . 0.0 113.23 -175.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -92.24 -34.28 14.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -114.9 160.88 19.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.466 173.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -75.62 -15.47 60.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.079 0.466 . . . . 0.0 110.755 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.86 -13.0 58.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.628 0.728 . . . . 0.0 109.561 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -84.61 172.03 11.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.08 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.676 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 21.6 tp -111.73 142.35 44.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.164 -172.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.545 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.9 tt0 -79.95 116.39 20.07 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 172.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.698 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.1 tm? -113.66 135.25 54.13 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.23 -168.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.627 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 21.1 tpt180 -106.15 155.6 19.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.8 0.333 . . . . 0.0 110.48 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -63.47 134.01 54.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.071 0.462 . . . . 0.0 110.865 174.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.73 33.12 85.91 Favored Glycine 0 N--CA 1.453 -0.201 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.572 -176.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -97.98 141.93 30.33 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 177.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.818 ' HB ' ' HD3' ' A' ' 47' ' ' ARG . 2.6 mp -99.25 127.6 51.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.044 0.449 . . . . 0.0 110.229 -176.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.41 HG22 ' CZ ' ' A' ' 55' ' ' PHE . 7.3 p -119.9 144.04 29.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.233 0.54 . . . . 0.0 111.851 -175.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.568 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 28.6 m-20 -114.14 126.91 55.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.15 173.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.881 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -77.06 123.86 34.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 121.717 0.77 . . . . 0.0 111.467 178.577 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.576 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 21.8 mmt -83.72 -36.95 23.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.355 -1.293 . . . . 0.0 110.404 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -148.96 141.21 24.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.607 176.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.467 ' HG2' HG22 ' A' ' 33' ' ' VAL . 43.1 mtmt -101.55 131.93 47.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.006 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.544 ' HB2' ' HD1' ' A' ' 41' ' ' TRP . 37.4 m -97.36 134.88 40.04 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 171.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -56.88 -31.31 64.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.84 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -56.65 -51.22 69.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.443 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.17 -8.59 0.32 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 119.683 -1.246 . . . . 0.0 114.18 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.691 ' HB3' ' HA ' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -106.38 149.33 27.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.188 0.994 . . . . 0.0 110.745 -179.534 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.485 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 10.6 m-85 -122.62 171.15 9.34 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -177.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.881 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.2 t -90.68 164.33 2.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 172.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.568 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -159.7 156.43 27.61 Favored Glycine 0 C--N 1.31 -0.864 0 C-N-CA 119.466 -1.35 . . . . 0.0 113.763 -171.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -120.95 127.63 51.99 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 173.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.444 ' N ' HD21 ' A' ' 23' ' ' LEU . 47.3 t -85.1 140.76 30.72 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 110.749 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.818 ' HD3' ' HB ' ' A' ' 30' ' ' ILE . 7.6 mtm180 -68.86 -17.2 63.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.394 -178.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.627 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 57.0 mtp180 -78.05 -83.62 0.08 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.009 -173.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.8 t -92.28 11.36 26.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.174 -171.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt 55.54 36.21 26.7 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.405 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -96.36 161.48 13.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -116.6 105.05 12.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.657 -177.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.676 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.18 154.72 21.73 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.398 -177.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.3 t -101.37 150.46 22.99 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 117.133 0.466 . . . . 0.0 110.249 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.489 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 52.3 p90 -165.48 166.29 10.47 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.691 ' HA ' ' HB3' ' A' ' 41' ' ' TRP . 52.9 Cg_exo -52.36 134.23 50.85 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.661 2.241 . . . . 0.0 113.085 -178.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.498 ' H ' ' HA ' ' A' ' 41' ' ' TRP . . . -94.3 -2.84 63.63 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.928 -179.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -101.1 23.98 10.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 122.423 1.106 . . . . 0.0 108.204 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.507 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 5.8 t80 -119.09 -16.69 9.11 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.148 -178.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.569 HG22 ' HA ' ' A' ' 11' ' ' ALA . 10.7 p -119.89 150.33 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.019 -177.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.56 ' HD3' HD22 ' A' ' 12' ' ' LEU . 41.4 mtpt -120.83 156.45 56.38 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -174.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 61' ' ' LYS . 16.1 Cg_endo -54.1 148.29 40.36 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 124.061 3.174 . . . . 0.0 112.855 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.7 HD23 ' HB2' ' A' ' 10' ' ' GLN . 79.6 mt -61.75 128.61 37.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.207 176.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 p90 . . . . . 0 N--CA 1.436 -1.14 0 CA-C-O 118.537 -0.744 . . . . 0.0 110.832 -179.284 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.449 -0.522 0 CA-C-O 120.916 0.388 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.514 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 12.2 m-85 -129.32 154.91 46.41 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.596 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.611 ' HB2' HD23 ' A' ' 63' ' ' LEU . 43.8 tt0 -109.02 128.38 54.9 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.593 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -80.39 139.37 36.55 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.521 -172.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.608 HD22 ' HD3' ' A' ' 61' ' ' LYS . 14.2 mt -75.21 -31.84 61.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.69 -174.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -144.67 179.23 7.43 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.43 -175.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.1 m -91.0 136.19 33.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.85 0.357 . . . . 0.0 110.306 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.678 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 52.3 t80 -109.11 133.44 53.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.101 -177.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.7 mm -108.5 118.46 52.02 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 173.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 51.6 Cg_exo -54.95 132.93 55.14 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 123.42 2.747 . . . . 0.0 113.229 -175.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -76.98 -32.15 57.03 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 174.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -133.18 155.23 49.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.069 -1.423 . . . . 0.0 107.558 169.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -72.7 -8.49 55.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.668 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -62.32 -29.23 70.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.627 0.727 . . . . 0.0 109.076 169.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.514 ' HA ' ' O ' ' A' ' 54' ' ' THR . 22.8 mt-10 -83.54 158.29 22.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.375 177.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.774 HD11 ' HG3' ' A' ' 51' ' ' GLN . 16.7 tp -91.97 135.2 34.14 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.844 -173.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.459 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 6.4 tt0 -77.21 115.16 16.76 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 172.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.678 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 2.8 tm? -114.2 136.14 53.28 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.786 -166.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -104.87 151.57 23.68 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.731 0.301 . . . . 0.0 110.282 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -56.86 133.95 54.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.582 0.705 . . . . 0.0 111.464 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.31 27.45 72.45 Favored Glycine 0 C--N 1.32 -0.346 0 CA-C-N 115.034 -0.984 . . . . 0.0 113.006 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.401 ' HB3' HD21 ' A' ' 25' ' ' LEU . 46.3 t0 -89.91 142.65 27.5 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.625 ' HB ' ' HD3' ' A' ' 47' ' ' ARG . 3.0 mp -99.46 122.48 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.426 HG22 ' CZ ' ' A' ' 55' ' ' PHE . 11.0 p -112.96 147.24 16.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.478 -174.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.471 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 17.4 m-20 -120.78 127.69 52.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.121 174.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.846 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.96 123.4 33.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 122.002 0.906 . . . . 0.0 112.315 -177.359 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.616 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 96.2 mmm -82.16 -36.41 27.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 113.848 -1.524 . . . . 0.0 110.429 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.731 ' HB3' HG22 ' A' ' 43' ' ' VAL . 8.1 tp10 -146.45 138.01 24.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.151 176.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.58 ' H ' ' HD2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -100.83 121.92 42.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.463 -177.162 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.9 m -104.09 133.46 49.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.875 0.369 . . . . 0.0 110.421 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.29 -10.57 43.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.571 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -76.96 -12.25 59.92 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.288 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.5 -2.12 23.49 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.286 -0.959 . . . . 0.0 113.493 174.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 3.6 p90 -121.44 154.3 36.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 117.681 0.741 . . . . 0.0 110.062 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.496 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 12.3 m-85 -123.52 164.33 19.19 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.846 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.7 t -90.49 155.93 3.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 171.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -152.63 153.9 25.17 Favored Glycine 0 C--N 1.302 -1.32 0 C-N-CA 119.557 -1.306 . . . . 0.0 113.069 -172.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 m -112.98 128.06 56.4 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.6 t -87.35 139.94 30.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.114 0.483 . . . . 0.0 110.507 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.625 ' HD3' ' HB ' ' A' ' 30' ' ' ILE . 46.2 mtm180 -73.75 -9.31 58.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.703 -176.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -66.34 -53.45 36.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.695 -172.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -138.64 19.93 2.7 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.483 0.658 . . . . 0.0 110.304 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 59.18 42.97 17.82 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.831 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.774 ' HG3' HD11 ' A' ' 23' ' ' LEU . 26.7 pt20 -96.43 156.17 16.45 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.496 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -117.22 113.01 21.6 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.072 0.463 . . . . 0.0 110.87 -171.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.629 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.41 150.24 20.2 Favored Glycine 0 C--O 1.221 -0.693 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.882 178.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.608 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.0 t -101.53 144.41 30.33 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 117.402 0.601 . . . . 0.0 110.422 178.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.426 ' CZ ' HG22 ' A' ' 31' ' ' VAL . 50.6 p90 -163.6 161.3 17.57 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -56.06 134.06 61.86 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 122.718 2.278 . . . . 0.0 112.485 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.32 -5.79 88.44 Favored Glycine 0 C--O 1.227 -0.315 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.139 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -92.21 25.72 2.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.344 0.592 . . . . 0.0 110.02 -178.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -125.86 -7.64 6.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.823 0.82 . . . . 0.0 109.336 -175.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 11' ' ' ALA . 8.8 p -120.45 154.99 23.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.591 -175.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.608 ' HD3' HD22 ' A' ' 12' ' ' LEU . 40.1 mtpt -122.43 155.17 62.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -177.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 61' ' ' LYS . 17.6 Cg_endo -54.6 147.63 47.97 Favored 'Trans proline' 0 N--CA 1.473 0.304 0 C-N-CA 124.137 3.225 . . . . 0.0 113.565 -178.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.611 HD23 ' HB2' ' A' ' 10' ' ' GLN . 52.2 mt -66.35 170.63 5.73 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.039 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.8 p90 . . . . . 0 C--O 1.244 0.791 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.011 174.868 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.406 ' HB2' HD12 ' A' ' 63' ' ' LEU . 15.2 m . . . . . 0 N--CA 1.444 -0.738 0 CA-C-O 121.396 0.617 . . . . 0.0 110.657 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.588 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 23.8 m-85 -133.49 155.3 49.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.543 -176.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -109.21 130.11 55.49 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.625 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.46 138.97 37.77 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.533 0.682 . . . . 0.0 111.64 -171.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.437 HD22 ' HB3' ' A' ' 61' ' ' LYS . 14.5 mt -73.88 -33.8 64.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.299 -175.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -144.23 158.16 43.88 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.508 -174.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 m -73.61 135.37 43.83 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.531 174.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.703 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 50.5 t80 -121.72 133.27 54.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.964 -177.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.418 ' HA ' HD13 ' A' ' 16' ' ' ILE . 50.6 mm -103.23 127.54 29.51 Favored Pre-proline 0 C--N 1.313 -0.996 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.407 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.523 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 32.2 Cg_exo -54.91 132.91 54.91 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.965 2.443 . . . . 0.0 112.917 -175.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -93.11 -35.31 13.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 173.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.571 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 5.4 m-20 -116.88 152.22 34.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.559 -1.201 . . . . 0.0 108.583 176.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.88 1.81 25.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.012 0.435 . . . . 0.0 111.209 -178.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -88.49 -14.17 38.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.757 0.789 . . . . 0.0 108.934 170.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.571 ' HG3' ' HB2' ' A' ' 19' ' ' ASN . 84.1 mt-10 -88.05 171.87 9.96 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.357 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.711 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 16.7 tp -109.35 143.32 39.05 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.52 -172.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.523 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.1 tt0 -78.18 115.04 17.62 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 168.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.703 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -115.73 136.0 53.49 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.22 -167.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' A' ' 26' ' ' ARG . 17.3 mmt180 -116.07 152.26 33.94 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.281 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -58.11 134.45 56.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.428 0.632 . . . . 0.0 110.569 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.26 35.62 60.28 Favored Glycine 0 C--N 1.317 -0.504 0 CA-C-N 115.081 -0.963 . . . . 0.0 112.668 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -108.41 148.7 29.77 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 175.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.588 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -99.82 134.73 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.862 0.363 . . . . 0.0 110.389 -174.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.47 ' HB ' ' HZ ' ' A' ' 55' ' ' PHE . 7.1 p -110.16 141.65 24.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-O 121.241 0.543 . . . . 0.0 111.287 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.628 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 32.7 t70 -133.09 119.2 19.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.285 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.878 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -75.97 124.12 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 122.054 0.93 . . . . 0.0 113.109 -168.035 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.801 ' HA ' ' HE3' ' A' ' 34' ' ' MET . 12.8 mmt -91.27 -32.5 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 113.98 -1.463 . . . . 0.0 110.065 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.662 ' HB3' HG22 ' A' ' 43' ' ' VAL . 9.0 tp10 -155.04 142.27 19.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.231 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.78 127.61 55.85 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.26 0.552 . . . . 0.0 112.276 -175.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.2 m -90.18 145.39 25.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -60.63 -24.58 65.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.732 -168.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.74 -23.26 53.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.397 . . . . 0.0 111.165 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.13 14.1 5.65 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.362 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -95.66 121.46 37.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -114.65 159.95 19.9 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.2 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.878 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 11.3 t -91.1 155.89 3.04 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.864 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 173.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.628 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -155.93 154.87 25.86 Favored Glycine 0 C--N 1.298 -1.538 0 C-N-CA 120.007 -1.092 . . . . 0.0 112.322 -171.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.492 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 7.4 m -108.1 127.26 53.64 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.1 t -79.01 134.58 36.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.11 0.481 . . . . 0.0 110.786 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.452 ' HD3' ' HB ' ' A' ' 30' ' ' ILE . 2.5 mpt_? -67.16 -9.45 40.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.671 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -77.89 -81.98 0.09 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.484 -177.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.6 t -95.63 8.81 42.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.498 -173.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.3 mptt 57.72 29.86 18.0 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 178.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -99.14 161.33 13.68 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.158 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.492 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 13.8 p90 -117.57 122.05 42.61 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.805 0.812 . . . . 0.0 110.346 -175.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.711 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -137.69 156.51 23.69 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.411 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.754 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 10.9 t -101.31 144.17 30.48 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 117.646 0.723 . . . . 0.0 111.08 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.47 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 50.2 p90 -160.05 165.2 18.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.872 177.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 32.5 Cg_exo -56.67 133.67 59.5 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.531 2.154 . . . . 0.0 113.236 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.87 -6.63 85.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.507 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -92.43 11.09 27.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.372 0.606 . . . . 0.0 110.122 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -117.92 0.12 11.83 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 122.519 1.152 . . . . 0.0 108.846 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 11' ' ' ALA . 9.7 p -123.82 155.91 30.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.715 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.437 ' HB3' HD22 ' A' ' 12' ' ' LEU . 8.0 ptmm? -119.87 154.02 55.07 Favored Pre-proline 0 C--O 1.222 -0.365 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.931 -178.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -55.65 146.62 64.15 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.571 2.847 . . . . 0.0 112.974 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.515 HD22 HG13 ' A' ' 30' ' ' ILE . 69.4 mt -64.75 150.19 47.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.278 175.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.6 p90 . . . . . 0 N--CA 1.44 -0.973 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.385 -178.802 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.61 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 9.8 m-85 -126.63 155.05 43.15 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.699 -176.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.477 ' HB2' HD23 ' A' ' 63' ' ' LEU . 34.6 tt0 -109.72 129.43 55.61 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.621 ' HA ' HG22 ' A' ' 60' ' ' VAL . . . -79.97 138.97 37.19 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.503 0.668 . . . . 0.0 111.535 -171.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.06 -36.67 72.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.554 -176.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.467 ' HA ' ' OD2' ' A' ' 27' ' ' ASP . 89.3 m-85 -147.05 179.96 7.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.077 -176.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.524 ' HB3' ' H ' ' A' ' 27' ' ' ASP . 19.8 p -95.88 135.33 37.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.334 0.588 . . . . 0.0 111.753 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.668 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 65.4 t80 -110.78 137.25 48.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.172 -177.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.435 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 50.5 mm -105.62 125.09 34.22 Favored Pre-proline 0 C--N 1.318 -0.803 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 175.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.1 Cg_exo -58.61 133.44 54.33 Favored 'Trans proline' 0 N--CA 1.472 0.211 0 C-N-CA 123.078 2.519 . . . . 0.0 113.128 -176.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -81.56 -45.85 15.29 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 172.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -113.94 166.9 11.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.129 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.81 -15.04 61.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.003 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 54' ' ' THR . 28.8 m-20 -73.68 -23.72 59.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.729 176.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.462 ' HA ' ' O ' ' A' ' 54' ' ' THR . 17.9 mt-10 -82.94 163.1 21.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.266 -177.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.676 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 20.4 tp -105.33 143.46 33.47 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.238 -176.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.47 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.9 tt0 -77.21 115.13 16.73 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 172.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.668 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 1.7 tm? -108.67 136.63 47.94 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -170.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.439 ' HA ' ' CB ' ' A' ' 14' ' ' SER . 28.0 mmt180 -117.8 153.86 32.74 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 120.514 -0.475 . . . . 0.0 110.889 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.524 ' H ' ' HB3' ' A' ' 14' ' ' SER . 4.2 m-20 -53.25 131.94 38.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.369 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.61 38.04 95.74 Favored Glycine 0 CA--C 1.518 0.249 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.91 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.428 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 40.6 t0 -101.69 148.49 25.2 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 175.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.61 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.8 mp -99.48 133.8 41.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.952 0.406 . . . . 0.0 110.042 -175.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.482 ' HB ' ' HZ ' ' A' ' 55' ' ' PHE . 5.1 p -110.5 137.35 43.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.527 0.679 . . . . 0.0 111.05 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.603 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 18.3 t70 -124.8 116.33 22.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.128 175.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.88 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -75.96 123.26 31.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.896 0.855 . . . . 0.0 112.703 -169.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.8 mmm -87.52 -32.67 19.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.502 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.873 ' HB3' HG22 ' A' ' 43' ' ' VAL . 32.1 tt0 -151.92 142.51 22.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.858 -176.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -108.54 132.18 54.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.928 0.394 . . . . 0.0 111.912 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.9 m -98.93 125.59 44.4 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 165.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.72 -17.14 60.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.028 0.442 . . . . 0.0 111.579 -172.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.83 -13.89 58.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.908 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.21 -20.82 3.53 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 119.818 -1.182 . . . . 0.0 114.336 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -80.41 136.75 36.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.309 0.554 . . . . 0.0 110.64 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.427 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 8.9 m-85 -123.25 159.61 28.37 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 169.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.88 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 12.1 t -91.56 164.55 2.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 173.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.603 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -162.73 155.24 26.49 Favored Glycine 0 C--N 1.304 -1.208 0 C-N-CA 119.838 -1.173 . . . . 0.0 112.755 -173.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -110.2 127.05 54.74 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 175.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.546 ' HB3' HG22 ' A' ' 49' ' ' THR . 31.0 t -79.64 139.53 37.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 111.497 -177.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' HD3' ' O ' ' A' ' 30' ' ' ILE . 7.7 mpt_? -73.16 -11.84 60.67 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.709 177.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.432 ' HE ' ' HB3' ' A' ' 48' ' ' ARG . 23.2 mtp180 -100.7 -67.8 0.84 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.906 0.384 . . . . 0.0 111.907 -178.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.546 HG22 ' HB3' ' A' ' 46' ' ' SER . 13.4 t -76.85 -7.94 56.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.833 -172.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt 56.54 29.01 14.74 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.98 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.42 ' HB2' HG21 ' A' ' 49' ' ' THR . 30.5 mm-40 -113.32 167.26 10.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.645 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -114.95 102.55 10.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.569 -172.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.676 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -133.45 153.33 20.76 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.584 -175.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.754 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.0 t -101.99 145.45 29.27 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.482 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 50.6 p90 -159.83 164.87 19.1 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.693 176.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 51.5 Cg_exo -54.41 132.79 52.87 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.229 1.953 . . . . 0.0 112.529 -178.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.8 22.7 34.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.696 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -127.39 21.93 6.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.895 0.855 . . . . 0.0 109.15 176.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -115.73 -4.22 12.18 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.621 HG22 ' HA ' ' A' ' 11' ' ' ALA . 12.4 p -121.28 155.17 25.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.269 -176.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.462 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 8.8 ptmm? -119.14 153.6 53.18 Favored Pre-proline 0 C--O 1.223 -0.341 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.221 -176.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.05 148.7 57.04 Favored 'Trans proline' 0 N--CA 1.474 0.377 0 C-N-CA 123.686 2.924 . . . . 0.0 113.114 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.477 HD23 ' HB2' ' A' ' 10' ' ' GLN . 69.0 mt -67.69 151.38 47.35 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.477 177.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--O 1.251 1.17 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.86 177.771 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.538 ' HB2' HD12 ' A' ' 63' ' ' LEU . 14.6 m . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 121.023 0.44 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.519 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 9.4 m-85 -124.05 154.04 40.48 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.642 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.436 ' HB2' HD23 ' A' ' 63' ' ' LEU . 29.3 tt0 -109.47 129.11 55.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.567 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.74 137.64 37.07 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.546 0.689 . . . . 0.0 111.102 -175.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.29 -40.51 97.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.356 -1.293 . . . . 0.0 111.659 -173.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.414 ' CZ ' ' HE1' ' A' ' 59' ' ' TYR . 42.0 p90 -151.32 -179.94 7.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.423 -177.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.6 p -83.45 137.82 33.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.025 0.44 . . . . 0.0 110.583 -178.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.693 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 53.8 t80 -125.68 137.28 53.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.202 -176.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.428 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 49.2 mm -108.43 129.58 23.84 Favored Pre-proline 0 C--N 1.315 -0.901 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.559 -179.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.549 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 31.5 Cg_exo -55.67 132.59 53.02 Favored 'Trans proline' 0 CA--C 1.52 -0.221 0 C-N-CA 122.962 2.442 . . . . 0.0 112.719 -175.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.451 ' C ' HD21 ' A' ' 19' ' ' ASN . 11.3 mt-30 -87.88 -36.6 17.09 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 175.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.451 HD21 ' C ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER -118.42 160.56 21.48 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.885 176.09 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -73.81 -13.69 60.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.88 0.372 . . . . 0.0 111.472 -175.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.37 -13.57 49.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.048 0.451 . . . . 0.0 110.593 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -83.98 166.84 17.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.561 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.692 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 17.4 tp -99.14 136.5 39.01 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.801 -173.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.549 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 8.1 tt0 -78.09 114.51 17.04 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 170.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.693 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -114.89 135.55 54.07 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.117 -164.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -110.14 152.54 25.91 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.437 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -60.15 131.56 51.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.211 0.529 . . . . 0.0 111.294 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.24 30.65 71.62 Favored Glycine 0 C--N 1.323 -0.189 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.577 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -91.76 145.33 24.66 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 175.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.535 ' CG2' ' HB3' ' A' ' 8' ' ' SER . 2.3 mp -99.43 129.95 49.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -178.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.479 HG22 ' CZ ' ' A' ' 55' ' ' PHE . 7.3 p -119.5 144.17 28.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.174 0.511 . . . . 0.0 111.685 -176.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.524 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 29.4 m-20 -124.1 132.71 53.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.509 174.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.876 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.68 120.15 26.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 122.184 0.993 . . . . 0.0 111.491 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.751 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 85.3 mtp -83.03 -43.87 15.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 113.576 -1.647 . . . . 0.0 109.663 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.539 ' HB3' HG22 ' A' ' 43' ' ' VAL . 7.8 tp10 -141.34 147.34 37.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.079 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -107.79 128.69 54.82 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.871 -175.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.2 m -80.24 145.45 32.2 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 165.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -60.03 -19.55 53.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.283 -170.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -163.09 79.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.16 -86.14 0.15 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 119.674 -1.25 . . . . 0.0 114.23 170.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -84.53 146.85 27.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.323 0.583 . . . . 0.0 111.85 -170.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.502 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 13.9 m-85 -123.52 162.47 22.86 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 168.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.876 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.7 t -91.07 153.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 175.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.524 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -144.63 155.33 26.33 Favored Glycine 0 C--N 1.304 -1.206 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.756 -169.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.0 m -124.61 126.65 46.11 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.642 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.445 ' HB3' ' HG2' ' A' ' 48' ' ' ARG . 31.5 m -83.81 139.91 32.38 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -62.57 -18.27 61.77 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 114.935 -1.03 . . . . 0.0 113.558 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.726 ' HG3' HG22 ' A' ' 49' ' ' THR . 16.7 ptm180 -61.3 -48.9 79.25 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -174.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.726 HG22 ' HG3' ' A' ' 48' ' ' ARG . 13.3 t -152.33 20.34 0.65 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.847 0.356 . . . . 0.0 111.378 -173.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm 55.72 35.0 24.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.416 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.597 ' HG3' HD11 ' A' ' 23' ' ' LEU . 13.6 pt20 -81.86 152.91 26.65 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 174.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.636 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 14.3 p90 -120.56 119.22 32.3 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-O 121.933 0.873 . . . . 0.0 110.75 -170.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.692 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.71 150.65 20.62 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.782 177.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 6.3 t -102.02 143.96 31.22 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 117.379 0.59 . . . . 0.0 110.685 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.479 ' CZ ' HG22 ' A' ' 31' ' ' VAL . 52.2 p90 -164.16 164.88 13.86 Favored Pre-proline 0 CA--C 1.531 0.225 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.937 177.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 36.1 Cg_exo -57.78 134.11 60.62 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.47 2.114 . . . . 0.0 112.722 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.96 -2.66 89.52 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.132 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -92.94 15.79 14.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.287 0.565 . . . . 0.0 109.75 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.559 ' HH ' ' HB2' ' A' ' 15' ' ' TYR . 2.9 t80 -114.79 -13.33 12.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.985 -174.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 11' ' ' ALA . 12.6 p -119.12 153.01 21.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.347 -173.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.491 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 8.6 ptmm? -117.75 156.66 49.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.236 -174.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 14.3 Cg_endo -54.66 148.71 43.45 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 123.525 2.817 . . . . 0.0 112.703 177.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.538 HD12 ' HB2' ' A' ' 8' ' ' SER . 67.9 mt -62.19 140.58 58.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.302 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--O 1.248 0.997 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.858 178.206 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 m -97.46 -54.23 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.7 0.286 . . . . 0.0 110.497 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -61.97 -58.6 7.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.374 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 64.52 115.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 O-C-N 124.075 0.859 . . . . 0.0 112.501 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -86.0 -162.69 0.77 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.354 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.2 mt -83.33 -172.7 4.29 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -126.59 169.45 13.08 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.109 0.48 . . . . 0.0 110.501 -176.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.671 ' HB2' HD12 ' A' ' 63' ' ' LEU . 4.2 m -108.95 144.74 36.52 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.836 -176.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.594 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 15.2 m-85 -125.35 153.08 43.88 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.303 -178.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -108.28 127.9 54.27 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 176.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.756 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -79.55 139.22 37.6 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.94 -171.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.2 -42.0 89.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.809 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.409 ' CZ ' ' HE2' ' A' ' 59' ' ' TYR . 35.5 p90 -152.07 -179.48 7.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.007 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.505 ' HB3' ' H ' ' A' ' 27' ' ' ASP . 29.8 p -83.54 150.16 26.13 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.344 0.592 . . . . 0.0 111.78 -176.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.594 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 58.4 t80 -134.18 137.5 44.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.866 -174.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.4 ' HA ' HD13 ' A' ' 16' ' ' ILE . 50.6 mm -107.27 128.08 26.68 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 31.0 Cg_exo -59.74 132.67 46.69 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.667 2.245 . . . . 0.0 112.378 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -104.37 -29.62 10.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.152 0.977 . . . . 0.0 108.843 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -113.73 151.63 31.65 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.033 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -73.73 0.12 13.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.841 0.353 . . . . 0.0 111.196 -177.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.438 ' O ' HG23 ' A' ' 54' ' ' THR . 10.6 m-20 -97.73 -14.34 20.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.577 175.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -83.88 169.65 14.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.468 0.651 . . . . 0.0 111.725 -176.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.698 HD11 ' HG3' ' A' ' 51' ' ' GLN . 19.6 tp -110.61 140.85 44.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.626 -174.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.529 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.6 tt0 -77.92 116.02 18.1 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 172.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.756 HD13 ' CB ' ' A' ' 11' ' ' ALA . 1.1 tm? -110.28 135.68 50.64 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.747 -170.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.464 ' HA ' ' HD3' ' A' ' 26' ' ' ARG . 26.1 mmt180 -116.13 146.5 42.21 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.754 0.312 . . . . 0.0 110.18 176.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.505 ' H ' ' HB3' ' A' ' 14' ' ' SER . 0.8 OUTLIER -50.64 124.17 10.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.42 -176.767 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.24 30.44 60.76 Favored Glycine 0 C--O 1.228 -0.239 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.984 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -88.75 150.96 22.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.594 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.4 mp -100.11 139.56 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.0 141.7 45.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.366 0.603 . . . . 0.0 111.41 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.528 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 3.6 m-20 -125.51 126.26 44.58 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.726 -1.124 . . . . 0.0 108.663 174.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.827 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.32 126.54 37.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 122.117 0.96 . . . . 0.0 112.611 -171.465 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.775 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 93.4 mmm -81.25 -37.21 28.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.024 177.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -158.84 142.15 14.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.173 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.6 ' H ' ' HD2' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -91.53 128.05 37.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.974 -179.666 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.8 m -95.12 131.66 40.89 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 172.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -70.09 -12.42 61.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.392 -173.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -78.51 -12.99 60.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.88 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.08 -14.0 4.92 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 119.481 -1.342 . . . . 0.0 115.349 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.462 ' HB3' ' HA ' ' A' ' 56' ' ' PRO . 3.9 p90 -113.98 163.48 15.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.795 1.298 . . . . 0.0 110.636 -176.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.438 ' CE2' ' HA3' ' A' ' 57' ' ' GLY . 8.4 m-85 -124.55 166.49 15.97 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.827 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.3 t -90.64 155.73 3.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 169.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.528 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -156.46 153.48 24.75 Favored Glycine 0 C--N 1.303 -1.251 0 C-N-CA 119.371 -1.395 . . . . 0.0 113.068 -174.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 9.4 m -110.76 128.96 55.94 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.1 t -78.77 139.64 38.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.339 0.59 . . . . 0.0 110.912 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.547 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -70.67 -10.67 59.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.254 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -72.89 -88.37 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.179 0.514 . . . . 0.0 111.346 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.425 HG21 ' HG2' ' A' ' 51' ' ' GLN . 2.6 t -98.15 15.9 22.91 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.528 -175.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm 60.73 33.16 20.25 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.362 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.698 ' HG3' HD11 ' A' ' 23' ' ' LEU . 11.2 pt20 -92.72 153.32 19.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.222 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.493 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 6.0 p90 -117.13 121.01 40.08 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.728 0.775 . . . . 0.0 110.283 -176.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.685 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.5 156.96 23.36 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 114.749 -1.114 . . . . 0.0 111.448 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.618 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.8 t -101.69 143.94 31.01 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 117.675 0.737 . . . . 0.0 110.731 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.483 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 50.1 p90 -166.59 166.54 8.92 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.9 177.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.483 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 53.1 Cg_exo -52.86 133.78 52.36 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.666 2.244 . . . . 0.0 112.938 -178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.438 ' HA3' ' CE2' ' A' ' 42' ' ' PHE . . . -87.36 -9.11 73.33 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.789 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -99.46 11.39 39.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.03 0.919 . . . . 0.0 109.006 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.534 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 3.5 t80 -100.24 -11.22 20.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.374 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.634 HG22 ' HA ' ' A' ' 11' ' ' ALA . 13.5 p -120.22 156.8 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.923 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.603 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.494 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 15.3 ptmt -120.97 160.74 43.71 Favored Pre-proline 0 C--N 1.324 -0.503 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.654 -176.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 11.3 Cg_endo -52.26 142.9 44.85 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.16 2.573 . . . . 0.0 111.558 175.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.671 HD12 ' HB2' ' A' ' 8' ' ' SER . 82.4 mt -47.38 127.95 11.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.677 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.251 1.133 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.445 -175.577 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.9 m -130.14 32.23 4.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.349 0.595 . . . . 0.0 110.787 -173.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -72.79 -15.17 61.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.491 0.663 . . . . 0.0 109.818 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -132.78 138.59 47.2 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.498 174.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -86.27 142.78 28.3 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.191 0.519 . . . . 0.0 110.066 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.6 mt -92.17 177.75 6.06 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.8 -175.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -113.75 162.19 16.6 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.51 -175.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.9 m -105.81 144.79 32.06 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.388 -0.824 . . . . 0.0 108.861 175.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.528 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 13.4 m-85 -126.34 154.89 42.89 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -177.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.447 ' HB2' HD23 ' A' ' 63' ' ' LEU . 29.7 tt0 -108.94 126.16 52.79 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.603 ' HA ' HG22 ' A' ' 60' ' ' VAL . . . -79.53 133.86 36.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.493 0.664 . . . . 0.0 110.753 -174.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.515 HD22 ' CD ' ' A' ' 61' ' ' LYS . 16.7 mt -65.56 -36.96 85.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.529 -171.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -150.36 169.01 22.42 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.23 -176.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.7 p -78.13 143.03 37.64 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.902 0.382 . . . . 0.0 110.223 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.548 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 5.6 t80 -130.93 130.09 43.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 -172.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 16' ' ' ILE . 51.5 mm -94.48 127.16 45.12 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 52.2 Cg_exo -52.44 135.97 55.45 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.561 2.841 . . . . 0.0 113.353 -176.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -87.34 -36.55 17.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -122.24 158.99 28.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.983 178.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -74.75 -9.68 58.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -82.34 -17.31 46.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.104 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -93.29 171.66 8.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.577 0.704 . . . . 0.0 111.567 -173.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.703 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 23.6 tp -98.4 142.7 29.71 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.845 -174.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.503 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 7.0 tt0 -77.36 115.45 17.15 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 169.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.548 ' HB3' ' CB ' ' A' ' 15' ' ' TYR . 2.0 tm? -102.0 135.92 42.73 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.961 -170.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.491 ' HB2' ' HD3' ' A' ' 48' ' ' ARG . 25.6 mmt180 -119.58 148.16 43.64 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.12 137.4 58.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.233 0.54 . . . . 0.0 111.834 -173.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.39 24.53 76.79 Favored Glycine 0 CA--C 1.509 -0.304 0 CA-C-N 114.867 -1.06 . . . . 0.0 112.707 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 26' ' ' ARG . 7.8 t0 -88.3 142.23 27.91 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.534 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 2.5 mp -98.65 129.25 49.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.424 HG22 ' HA3' ' A' ' 44' ' ' GLY . 3.3 p -109.52 135.07 49.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-O 121.551 0.691 . . . . 0.0 111.191 -176.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.465 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 3.8 m-20 -121.05 124.68 45.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.787 174.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.896 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -76.38 120.57 26.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.708 0.766 . . . . 0.0 112.008 -175.118 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.669 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 22.8 mmt -82.72 -36.7 25.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.172 178.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 43' ' ' VAL . 7.5 tp10 -156.55 152.97 27.96 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -98.41 124.95 43.38 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.149 0.5 . . . . 0.0 111.254 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.8 m -82.46 135.97 35.01 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -61.4 -21.38 64.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.734 -173.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -63.21 -33.31 75.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 0.0 110.703 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.93 -0.14 7.14 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.276 -175.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.505 ' CE3' ' HA ' ' A' ' 56' ' ' PRO . 4.7 m95 -93.14 162.12 14.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.485 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 5.8 m-85 -127.37 162.47 26.23 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 176.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.896 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.9 t -89.23 151.63 3.45 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.718 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -150.27 155.65 26.32 Favored Glycine 0 C--N 1.304 -1.24 0 C-N-CA 119.858 -1.163 . . . . 0.0 112.95 -170.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.1 m -115.99 127.84 55.25 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.752 -0.263 . . . . 0.0 110.59 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 11.4 t -79.1 129.56 34.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.149 0.499 . . . . 0.0 110.837 178.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.579 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -79.75 -22.17 43.58 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.288 176.658 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.491 ' HD3' ' HB2' ' A' ' 26' ' ' ARG . 40.5 mtp180 -87.11 -40.87 14.25 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.495 -174.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.401 HG22 ' OG ' ' A' ' 46' ' ' SER . 14.6 t -110.48 2.98 19.19 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.726 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 46' ' ' SER . 68.6 mmtt 51.02 41.09 26.94 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 176.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -118.87 161.16 20.63 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -117.39 117.22 28.9 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.869 0.843 . . . . 0.0 110.134 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.703 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.92 157.24 23.65 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.551 -179.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.589 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.8 t -101.55 143.22 31.8 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 117.508 0.654 . . . . 0.0 110.612 178.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.482 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 52.3 p90 -164.9 168.02 9.2 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.476 -177.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.505 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 52.3 Cg_exo -54.55 134.08 60.08 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.331 2.021 . . . . 0.0 113.248 -178.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.85 -7.95 59.59 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.044 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -94.35 26.35 3.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.688 0.756 . . . . 0.0 109.437 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.452 ' HH ' ' HB2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -123.57 -10.58 7.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.086 -175.155 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.603 HG22 ' HA ' ' A' ' 11' ' ' ALA . 14.0 p -118.31 156.5 20.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.319 -171.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.515 ' CD ' HD22 ' A' ' 12' ' ' LEU . 33.0 mtpt -116.48 153.07 48.83 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.925 0.393 . . . . 0.0 111.747 -176.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -56.72 147.93 68.6 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.743 2.962 . . . . 0.0 112.103 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 10' ' ' GLN . 80.8 mt -60.02 126.95 29.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.41 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.5 t80 . . . . . 0 C--O 1.25 1.13 0 O-C-N 124.668 1.23 . . . . 0.0 112.244 -177.33 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.78 0.324 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m -88.76 63.1 6.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.238 0.542 . . . . 0.0 110.755 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -78.99 -45.94 19.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.589 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 53.69 94.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.641 176.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -72.12 169.77 15.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.378 174.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.533 HD13 ' HG2' ' A' ' 36' ' ' LYS . 33.4 mt -83.1 -149.96 0.1 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.653 -175.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.401 ' H ' ' HB3' ' A' ' 6' ' ' LEU . 27.6 m-85 -101.72 162.43 12.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.347 -175.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.662 ' HB2' HD12 ' A' ' 63' ' ' LEU . 3.5 m -91.23 145.07 24.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.5 177.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.511 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 35.0 m-85 -127.88 154.76 45.13 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.569 ' HB2' HD23 ' A' ' 63' ' ' LEU . 45.9 tt0 -109.34 127.28 54.2 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.645 ' HA ' HG22 ' A' ' 60' ' ' VAL . . . -80.02 138.45 37.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.493 0.663 . . . . 0.0 112.041 -170.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mt -72.92 -36.01 67.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.821 -176.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -140.38 172.78 12.24 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.451 -174.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.5 p -92.28 133.9 35.41 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.404 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.676 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 36.7 t80 -108.94 129.17 55.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.381 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.462 ' HA ' HD13 ' A' ' 16' ' ' ILE . 49.7 mm -103.8 125.55 34.35 Favored Pre-proline 0 C--N 1.315 -0.894 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.1 Cg_exo -57.13 133.0 54.81 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 123.052 2.501 . . . . 0.0 113.112 -176.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -92.45 -41.66 10.17 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 172.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -114.38 159.02 20.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.06 -1.427 . . . . 0.0 108.623 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.09 -14.84 61.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.349 0.595 . . . . 0.0 109.692 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -71.54 -24.58 61.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.941 174.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -84.63 158.9 20.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.3 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.688 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 21.6 tp -101.9 145.8 28.72 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.504 -174.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.499 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.7 tt0 -77.8 115.04 17.24 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 170.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.676 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 2.6 tm? -111.89 134.85 53.18 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -173.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 16.5 mmt180 -112.94 157.73 21.11 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.122 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -58.59 132.95 55.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.178 0.514 . . . . 0.0 110.438 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.51 30.97 78.74 Favored Glycine 0 C--N 1.319 -0.375 0 CA-C-N 115.273 -0.876 . . . . 0.0 113.249 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -93.26 150.07 20.76 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.572 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 2.4 mp -100.0 134.44 39.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -176.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.488 ' HB ' ' HZ ' ' A' ' 55' ' ' PHE . 2.8 p -111.11 128.5 67.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.646 0.736 . . . . 0.0 111.487 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -115.76 120.44 39.32 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.527 -1.215 . . . . 0.0 108.181 171.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.879 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.29 122.1 29.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 122.018 0.913 . . . . 0.0 112.653 -172.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.66 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 94.8 mmm -81.82 -41.3 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 113.559 -1.655 . . . . 0.0 109.946 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.478 ' HB3' HG22 ' A' ' 43' ' ' VAL . 27.3 tt0 -144.92 145.39 31.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.71 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.533 ' HG2' HD13 ' A' ' 6' ' ' LEU . 34.0 mtmt -105.17 127.48 52.93 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.844 -171.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.665 ' HB2' ' O ' ' A' ' 41' ' ' TRP . 69.1 m -87.21 141.8 28.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 167.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.19 -5.97 31.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.454 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -165.9 93.66 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.654 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.97 -72.17 0.47 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.109 -1.043 . . . . 0.0 114.562 165.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.665 ' O ' ' HB2' ' A' ' 37' ' ' CYS . 16.0 m0 -104.85 152.05 23.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.159 0.504 . . . . 0.0 111.425 -170.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.439 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 13.5 m-85 -123.84 163.36 21.4 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 163.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.879 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.5 t -90.91 152.18 3.38 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 174.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -145.16 155.16 26.35 Favored Glycine 0 C--N 1.303 -1.283 0 C-N-CA 119.863 -1.16 . . . . 0.0 113.037 -171.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.1 m -113.07 128.03 56.38 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 175.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.501 ' N ' HD21 ' A' ' 23' ' ' LEU . 30.5 t -79.0 135.32 36.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.094 0.473 . . . . 0.0 110.548 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.594 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -76.11 -8.83 57.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.546 -179.724 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.411 ' CD ' ' HG3' ' A' ' 26' ' ' ARG . 39.3 mtp180 -84.29 -79.88 0.21 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.013 0.435 . . . . 0.0 110.996 177.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 t -82.7 -3.03 55.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.549 -173.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm 60.05 29.65 19.2 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.593 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -97.17 166.23 11.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.773 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -115.66 109.02 17.15 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.12 -173.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.688 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -134.26 155.74 22.03 Favored Glycine 0 C--O 1.221 -0.711 0 C-N-CA 121.111 -0.566 . . . . 0.0 111.958 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 6.9 t -102.29 144.52 30.69 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 117.201 0.5 . . . . 0.0 111.049 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.488 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 49.1 p90 -161.6 162.13 21.55 Favored Pre-proline 0 C--O 1.233 0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.989 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.35 134.16 59.74 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.661 2.241 . . . . 0.0 113.098 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.41 7.03 82.86 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.356 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -113.69 26.27 10.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 122.291 1.043 . . . . 0.0 108.977 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -120.71 -1.37 10.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.404 1.097 . . . . 0.0 108.134 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.645 HG22 ' HA ' ' A' ' 11' ' ' ALA . 11.7 p -123.37 158.84 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 114.259 -1.337 . . . . 0.0 109.787 -174.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.582 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 15.2 ptmt -123.25 163.59 33.01 Favored Pre-proline 0 C--O 1.226 -0.175 0 O-C-N 122.367 -0.208 . . . . 0.0 110.495 -177.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.582 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 12.2 Cg_endo -54.6 145.55 58.38 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 123.204 2.602 . . . . 0.0 112.503 176.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.662 HD12 ' HB2' ' A' ' 8' ' ' SER . 65.2 mt -52.68 140.81 22.53 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.308 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.148 179.499 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 121.089 0.471 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 m -60.46 -39.67 88.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.092 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 m -154.61 -175.99 5.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.661 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -79.04 105.37 10.32 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 177.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -77.86 155.82 30.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.63 -177.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.65 -166.74 1.65 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.127 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -123.27 166.49 15.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.457 -176.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.748 ' HB2' HD12 ' A' ' 63' ' ' LEU . 4.9 m -104.87 146.18 29.37 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.506 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 17.9 m-85 -120.82 150.67 40.67 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.038 -178.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.68 ' HB2' HD23 ' A' ' 63' ' ' LEU . 52.5 tt0 -109.55 128.94 55.56 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.605 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.89 139.39 37.13 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.34 0.591 . . . . 0.0 111.736 -171.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.84 -45.76 88.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.812 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -152.27 178.91 9.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.715 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -77.43 140.22 39.83 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.228 0.537 . . . . 0.0 111.756 -174.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.69 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 42.4 t80 -127.65 139.88 52.44 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.819 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.2 mm -106.66 131.61 21.57 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.08 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.6 Cg_exo -57.82 133.35 55.55 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.889 2.393 . . . . 0.0 112.758 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -85.5 -36.2 20.69 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 173.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -126.48 163.46 23.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.129 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.6 -5.94 56.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.297 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -86.76 -14.29 42.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.064 0.459 . . . . 0.0 109.807 172.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 54' ' ' THR . 30.5 mt-10 -84.75 171.52 12.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.098 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.698 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 19.5 tp -111.05 139.0 46.77 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.472 -174.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.527 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.6 tt0 -77.27 116.17 17.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 170.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.69 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -112.85 135.57 53.46 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.704 -168.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.851 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 22.6 mmt180 -116.37 159.38 22.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.812 0.339 . . . . 0.0 110.522 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -58.72 136.03 57.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.588 0.709 . . . . 0.0 111.957 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.95 26.38 68.92 Favored Glycine 0 C--N 1.323 -0.14 0 CA-C-N 114.751 -1.113 . . . . 0.0 113.212 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -90.47 149.63 22.14 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.582 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 2.2 mp -99.76 140.41 19.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -176.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.469 HG23 ' HA3' ' A' ' 44' ' ' GLY . 3.5 p -119.12 130.84 73.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.532 0.682 . . . . 0.0 111.261 177.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.604 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 10.3 m-20 -114.88 121.82 44.39 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.527 173.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.886 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -75.92 121.43 27.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 122.021 0.915 . . . . 0.0 112.476 -172.426 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.713 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 92.3 mmm -81.7 -39.11 24.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 113.825 -1.534 . . . . 0.0 109.54 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.38 155.15 38.06 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 121.501 0.667 . . . . 0.0 110.63 175.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 22.7 mtmt -106.4 132.74 52.08 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.534 -1.212 . . . . 0.0 112.192 -171.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.3 m -107.5 135.06 49.61 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 168.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.17 -19.42 64.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.969 -173.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -68.96 -15.83 63.58 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.27 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.13 17.35 16.26 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.434 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -107.18 137.62 44.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.425 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 6.8 m-85 -125.02 164.44 20.15 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.176 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.886 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.5 t -90.51 156.32 3.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 169.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.604 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -157.46 154.65 25.72 Favored Glycine 0 C--N 1.305 -1.157 0 C-N-CA 119.232 -1.461 . . . . 0.0 113.339 -172.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 9.9 m -110.79 129.35 55.87 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 173.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.461 ' CB ' HG22 ' A' ' 49' ' ' THR . 30.8 t -78.5 132.73 37.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.126 0.488 . . . . 0.0 110.79 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.616 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -77.48 -19.47 55.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.729 179.564 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.851 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 52.6 mtt-85 -87.52 -65.56 1.0 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.373 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.461 HG22 ' CB ' ' A' ' 46' ' ' SER . 7.6 t -84.39 -4.33 58.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.595 -171.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt 57.72 30.61 19.19 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.973 175.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.8 160.77 17.02 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 1.6 p90 -116.91 114.2 23.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.789 0.804 . . . . 0.0 109.974 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.698 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -137.35 157.92 24.17 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 114.821 -1.082 . . . . 0.0 111.945 -177.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.565 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.8 t -101.19 145.72 28.44 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 117.341 0.571 . . . . 0.0 110.198 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.471 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 53.1 p90 -163.42 166.93 12.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.471 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 32.1 Cg_exo -56.23 133.36 57.54 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.388 2.059 . . . . 0.0 112.821 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.23 -6.66 81.15 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.725 176.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -94.68 26.45 3.5 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.433 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 7.0 t80 -129.88 -5.5 4.53 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.954 0.883 . . . . 0.0 109.116 -177.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 11' ' ' ALA . 10.9 p -120.61 157.8 23.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.084 -0.962 . . . . 0.0 108.944 -176.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 9.7 ptmm? -124.15 158.79 59.56 Favored Pre-proline 0 C--N 1.33 -0.28 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.966 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 9.8 Cg_endo -51.8 143.16 39.55 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 123.322 2.681 . . . . 0.0 112.332 175.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.748 HD12 ' HB2' ' A' ' 8' ' ' SER . 70.5 mt -52.96 141.68 21.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.831 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.2 t80 . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.996 173.827 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 p -86.94 93.77 9.42 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.144 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 m -61.91 139.65 58.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.995 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 65.65 100.98 0.04 OUTLIER 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.57 -173.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -82.7 -179.46 7.44 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.907 -174.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 6' ' ' LEU . 78.6 mt -76.84 -165.15 0.5 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.293 0.568 . . . . 0.0 110.822 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.521 ' HD1' ' HE1' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -134.48 143.23 47.38 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.118 178.641 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.552 ' HB2' HD12 ' A' ' 63' ' ' LEU . 5.1 m -114.07 145.9 40.97 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.214 -174.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.543 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 25.4 m-85 -127.98 154.43 45.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.778 -179.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.659 ' HB2' HD23 ' A' ' 63' ' ' LEU . 35.5 tt0 -110.06 129.99 55.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.609 ' HA ' HG22 ' A' ' 60' ' ' VAL . . . -80.36 139.08 36.72 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.383 0.611 . . . . 0.0 112.373 -169.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.501 ' CD2' ' HD2' ' A' ' 61' ' ' LYS . 15.2 mt -74.19 -33.59 63.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.379 -177.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -139.2 168.33 20.06 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -177.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.3 p -87.57 134.79 33.57 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 123.462 0.476 . . . . 0.0 110.401 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.62 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 21.6 t80 -110.21 133.88 52.79 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -176.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.433 ' HA ' HD13 ' A' ' 16' ' ' ILE . 50.7 mm -107.91 128.06 26.5 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.583 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 31.5 Cg_exo -55.49 133.07 55.94 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.859 2.373 . . . . 0.0 112.775 -176.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.422 HE21 ' HB2' ' A' ' 18' ' ' GLN . 7.9 mt-30 -106.83 -32.09 8.09 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -114.88 161.44 18.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.772 -1.103 . . . . 0.0 109.545 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.56 -17.64 61.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.713 -173.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -101.02 3.87 41.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.929 0.395 . . . . 0.0 111.011 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -87.2 171.4 10.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.063 0.458 . . . . 0.0 110.553 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.663 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 16.3 tp -111.49 141.04 45.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.404 -170.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.583 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 5.2 tt0 -81.54 114.7 20.44 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 169.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.62 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 2.8 tm? -120.05 135.07 55.07 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.901 -165.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.922 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 18.4 tpt180 -100.49 154.21 18.73 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -64.06 139.38 58.76 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.57 28.6 72.73 Favored Glycine 0 C--N 1.316 -0.564 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.002 -176.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.516 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 28.7 t0 -95.45 151.74 19.02 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.2 mp -99.2 133.21 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.83 0.348 . . . . 0.0 110.192 -175.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.55 146.74 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.417 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.601 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 4.0 m-20 -128.21 131.0 48.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.887 175.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.913 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.75 121.14 28.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 122.127 0.965 . . . . 0.0 112.33 -176.027 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.586 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 18.6 mmt -88.01 -36.57 16.94 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 114.106 -1.406 . . . . 0.0 110.487 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.463 ' HB3' HG22 ' A' ' 43' ' ' VAL . 21.6 tt0 -146.88 145.22 29.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -106.49 133.24 51.48 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.605 -173.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.3 t -85.98 148.39 25.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.321 0.582 . . . . 0.0 109.856 170.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.69 -24.29 66.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.549 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -173.37 78.99 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.025 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.43 -87.24 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.183 -1.008 . . . . 0.0 112.479 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -133.72 173.21 11.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.043 0.449 . . . . 0.0 111.485 -175.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.455 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 13.5 m-85 -117.83 164.16 15.44 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 169.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.913 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.5 t -89.78 155.78 3.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 174.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.601 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -149.7 155.98 26.54 Favored Glycine 0 C--N 1.303 -1.253 0 C-N-CA 119.868 -1.158 . . . . 0.0 113.408 -168.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.1 m -117.4 127.42 54.02 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.3 t -88.26 139.93 30.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.954 0.407 . . . . 0.0 111.333 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.516 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . 4.4 mpt_? -71.02 -9.11 57.47 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.257 177.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.922 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 48.7 mtp180 -72.15 -63.56 1.12 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.117 0.484 . . . . 0.0 111.544 -174.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.534 HG21 ' HG2' ' A' ' 51' ' ' GLN . 9.4 t -123.19 14.04 9.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.614 0.721 . . . . 0.0 110.281 -177.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 51.18 38.25 20.57 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.009 -0.996 . . . . 0.0 112.835 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.576 ' HG3' ' CD1' ' A' ' 23' ' ' LEU . 4.1 pt20 -95.97 166.25 11.87 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -115.37 107.8 15.69 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.273 -171.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.663 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -134.08 153.26 20.86 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.794 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 11.9 t -101.91 146.39 27.91 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 117.165 0.482 . . . . 0.0 110.74 -176.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.45 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 50.6 p90 -165.1 162.13 14.31 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.372 175.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 57.0 Cg_exo -51.54 134.68 46.76 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.957 2.438 . . . . 0.0 113.597 -175.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.43 -9.52 75.62 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.559 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -98.91 21.65 11.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.647 0.737 . . . . 0.0 109.697 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -116.01 -6.72 11.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.757 -1.11 . . . . 0.0 108.625 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.609 HG22 ' HA ' ' A' ' 11' ' ' ALA . 12.0 p -122.49 156.28 27.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.229 -176.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.699 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 17.9 ptmt -125.68 164.08 34.97 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.774 0.321 . . . . 0.0 111.183 -174.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.699 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 18.1 Cg_endo -57.69 141.53 95.56 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 123.347 2.698 . . . . 0.0 112.668 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.659 HD23 ' HB2' ' A' ' 10' ' ' GLN . 64.6 mt -55.57 152.11 9.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.299 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 . . . . . 0 C--O 1.247 0.922 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.251 175.921 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.727 0.299 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 m -95.13 -29.88 14.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.84 0.353 . . . . 0.0 111.548 -174.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 p -114.16 -55.87 2.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.421 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 59.84 88.64 0.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.749 0.656 . . . . 0.0 110.931 -175.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 t70 60.13 -148.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.308 -176.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.9 mt -71.58 -166.91 0.22 Allowed 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.337 0.589 . . . . 0.0 111.359 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -102.22 171.21 7.61 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.237 -175.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m -95.95 142.65 27.93 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.478 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.593 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 7.5 m-85 -127.4 155.04 44.26 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.714 -176.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.525 ' HA ' ' O ' ' A' ' 29' ' ' ASP . 9.0 tt0 -110.38 132.89 53.78 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.614 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.7 138.69 37.41 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.453 0.644 . . . . 0.0 111.493 -171.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -74.74 -32.51 62.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.67 -175.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.417 ' HB2' ' OH ' ' A' ' 59' ' ' TYR . 67.5 m-85 -141.09 177.99 7.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.39 -176.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 m -86.06 135.01 33.79 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.672 170.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.691 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 34.2 t80 -123.42 132.22 53.88 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.871 -176.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.471 ' HA ' HD13 ' A' ' 16' ' ' ILE . 50.9 mm -103.73 131.6 21.85 Favored Pre-proline 0 C--N 1.312 -1.062 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.899 -176.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.509 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 36.8 Cg_exo -55.25 131.78 48.35 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.979 2.452 . . . . 0.0 112.814 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -90.05 -37.98 13.9 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.041 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.423 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 5.1 m-20 -115.15 166.17 12.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.137 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -71.57 -18.67 62.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.057 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -83.96 -12.47 55.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.003 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.534 ' HA ' ' O ' ' A' ' 54' ' ' THR . 72.2 mt-10 -84.47 166.72 17.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.625 0.726 . . . . 0.0 111.949 -174.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.718 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 22.3 tp -107.35 142.38 37.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.315 -174.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.509 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 4.0 tt0 -78.87 116.67 19.35 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.037 174.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.691 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -113.18 135.57 53.67 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.704 -169.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 22.7 mmt180 -117.96 157.61 26.42 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 177.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -55.04 138.79 43.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.028 0.442 . . . . 0.0 111.019 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.37 34.84 89.11 Favored Glycine 0 C--N 1.32 -0.325 0 CA-C-N 115.336 -0.847 . . . . 0.0 113.601 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.525 ' O ' ' HA ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -98.5 155.99 17.0 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 175.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.593 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -104.51 135.98 39.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 p -110.65 128.99 66.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.606 0.717 . . . . 0.0 111.31 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.409 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 9.0 m-20 -120.46 116.49 25.55 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.339 -1.301 . . . . 0.0 108.108 173.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.918 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.8 124.24 34.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.884 0.85 . . . . 0.0 112.261 -172.172 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.589 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 95.7 mmm -87.77 -35.37 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.181 178.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.515 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 12.1 tp10 -148.58 144.46 27.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.68 177.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -107.33 108.06 19.27 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.933 -176.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.6 m -85.65 122.16 29.36 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.92 -5.82 6.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.78 -176.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -86.19 3.8 41.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.058 0.456 . . . . 0.0 110.781 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.96 4.76 31.3 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.722 -0.752 . . . . 0.0 113.637 173.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.425 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 21.1 m95 -114.52 138.48 50.57 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -177.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.406 ' CE2' ' HA3' ' A' ' 57' ' ' GLY . 6.0 m-85 -116.27 160.53 20.32 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 168.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.918 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.0 t -90.91 155.89 3.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 176.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -149.57 154.28 25.65 Favored Glycine 0 C--N 1.301 -1.392 0 C-N-CA 120.185 -1.007 . . . . 0.0 112.159 -173.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.1 m -110.91 129.8 55.77 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.437 ' N ' HD21 ' A' ' 23' ' ' LEU . 43.4 t -78.27 128.51 33.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.961 0.41 . . . . 0.0 110.967 -177.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.544 ' HD3' ' O ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -80.37 16.86 1.18 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.905 177.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -103.5 -67.92 0.86 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.679 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.414 HG21 ' HG3' ' A' ' 51' ' ' GLN . 11.0 t -111.22 14.49 21.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.797 -171.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt 58.51 31.88 21.51 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.414 ' HG3' HG21 ' A' ' 49' ' ' THR . 22.3 mt-30 -103.62 164.82 11.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.907 0.384 . . . . 0.0 111.071 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -117.78 112.9 21.03 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.343 -173.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.718 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.02 152.5 21.09 Favored Glycine 0 C--O 1.223 -0.547 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.889 178.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.594 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 8.9 t -102.07 143.81 31.44 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 117.494 0.647 . . . . 0.0 110.406 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -158.92 163.99 22.41 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.083 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.425 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 32.5 Cg_exo -56.92 133.26 56.79 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.496 2.13 . . . . 0.0 112.601 -177.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.406 ' HA3' ' CE2' ' A' ' 42' ' ' PHE . . . -92.89 12.26 70.3 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.972 -0.633 . . . . 0.0 112.816 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -107.3 14.22 26.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.293 0.568 . . . . 0.0 110.245 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.417 ' OH ' ' HB2' ' A' ' 13' ' ' TYR . 11.4 t80 -115.47 -3.42 12.39 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 122.001 0.905 . . . . 0.0 109.569 -175.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.461 HG22 ' HA ' ' A' ' 11' ' ' ALA . 11.3 p -119.75 158.63 21.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.694 -173.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.462 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 2.7 ptmm? -123.63 150.91 62.8 Favored Pre-proline 0 C--O 1.224 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 111.122 -177.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.81 146.18 79.64 Favored 'Trans proline' 0 N--CA 1.478 0.588 0 C-N-CA 123.939 3.093 . . . . 0.0 113.508 -177.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 10' ' ' GLN . 74.6 mt -64.19 160.31 18.76 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.252 176.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.614 -0.708 . . . . 0.0 111.41 178.782 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.937 0.398 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 4' ' ' GLN . 6.6 p -94.72 112.72 24.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.634 -176.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -66.1 -45.93 79.44 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.441 ' O ' ' HB ' ' A' ' 2' ' ' THR . 46.8 mt-30 -79.1 132.68 36.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.6 172.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -83.23 150.16 26.36 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.325 0.583 . . . . 0.0 110.589 -176.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.0 mt -107.25 -162.1 0.82 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.627 -175.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -139.97 168.94 18.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.41 ' HB2' HD12 ' A' ' 63' ' ' LEU . 3.4 m -123.1 143.36 50.03 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.733 177.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.58 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 8.7 m-85 -128.64 155.07 45.58 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -177.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.654 ' HB2' HD23 ' A' ' 63' ' ' LEU . 33.7 tt0 -111.26 130.22 55.73 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.607 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.74 140.33 36.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.482 0.658 . . . . 0.0 111.826 -171.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.673 HD22 ' HD3' ' A' ' 61' ' ' LYS . 13.7 mt -74.78 -32.58 62.07 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.118 -176.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -143.23 173.82 11.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.289 -176.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 m -82.81 148.01 28.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.082 0.468 . . . . 0.0 110.859 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.703 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 49.1 t80 -136.89 131.78 33.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.666 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.4 mm -104.55 132.6 20.78 Favored Pre-proline 0 C--N 1.312 -1.05 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.882 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.559 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 39.3 Cg_exo -56.86 132.9 54.51 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.59 2.194 . . . . 0.0 112.256 -177.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -89.52 -36.49 15.33 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -116.31 160.04 21.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.89 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.56 -14.6 61.67 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.368 -177.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.21 -12.73 54.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.176 0.512 . . . . 0.0 110.122 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 54' ' ' THR . 19.5 mt-10 -84.75 171.34 12.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.678 176.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.739 HD11 ' HB2' ' A' ' 46' ' ' SER . 17.4 tp -118.93 148.05 43.36 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.774 -174.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.559 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.6 tt0 -77.38 131.53 38.09 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.703 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.3 tm? -125.37 132.32 52.82 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.161 -172.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.692 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 7.1 tpt180 -111.53 158.85 18.7 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 26' ' ' ARG . 6.2 p-10 -58.31 131.22 50.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.363 0.601 . . . . 0.0 110.034 172.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.65 28.35 71.07 Favored Glycine 0 C--N 1.315 -0.605 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.881 -177.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.692 ' HB2' ' O ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER -91.66 157.51 16.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.875 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.58 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -107.17 147.16 12.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -176.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.421 ' CG1' ' HB2' ' A' ' 9' ' ' TYR . 2.6 p -108.73 127.48 65.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.651 0.739 . . . . 0.0 111.365 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.728 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 17.5 t70 -117.52 109.34 16.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.347 -1.297 . . . . 0.0 108.241 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.914 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -85.07 121.61 37.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 122.047 0.927 . . . . 0.0 112.557 -172.412 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.783 ' HE3' ' HB3' ' A' ' 52' ' ' PHE . 76.1 mtm -84.55 -36.72 21.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.368 178.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' O ' HG22 ' A' ' 43' ' ' VAL . 10.4 tp10 -148.35 140.05 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.668 ' H ' ' HD2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -107.57 125.63 51.54 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.994 -173.814 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 41' ' ' TRP . 77.8 m -82.34 144.09 30.81 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 168.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -70.77 -8.39 51.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -141.22 70.15 1.34 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.102 0.477 . . . . 0.0 112.188 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.52 -56.22 0.49 Allowed Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.128 -1.034 . . . . 0.0 115.365 162.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.489 ' O ' ' HB2' ' A' ' 37' ' ' CYS . 47.9 m95 -88.17 135.77 33.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.903 0.382 . . . . 0.0 111.985 -169.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.479 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 8.3 m-85 -123.13 160.09 27.19 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 166.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.914 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.8 t -91.43 160.32 2.71 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.868 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 176.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.728 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -153.58 155.75 26.35 Favored Glycine 0 C--N 1.308 -1.015 0 C-N-CA 119.776 -1.202 . . . . 0.0 113.4 -172.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 m -109.94 135.77 50.28 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 172.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.739 ' HB2' HD11 ' A' ' 23' ' ' LEU . 23.7 t -78.2 126.72 31.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.443 0.64 . . . . 0.0 110.962 -175.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.569 HH21 ' CG ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -60.73 -32.35 71.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.83 -179.497 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -93.61 -65.48 0.99 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.854 -172.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.2 t -88.29 0.63 55.93 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -171.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 57.2 33.32 23.14 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.174 0.511 . . . . 0.0 111.94 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -98.39 165.61 11.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.516 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.783 ' HB3' ' HE3' ' A' ' 34' ' ' MET . 46.1 m-85 -116.56 102.74 9.73 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.207 -175.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.625 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.58 152.26 20.88 Favored Glycine 0 C--O 1.222 -0.638 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.86 -175.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.595 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 14.7 t -101.65 147.56 26.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 117.059 0.43 . . . . 0.0 110.371 178.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -159.69 158.33 27.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.745 0.307 . . . . 0.0 110.506 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -61.99 133.84 46.52 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.9 2.4 . . . . 0.0 112.722 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.458 ' HA3' ' CE2' ' A' ' 42' ' ' PHE . . . -93.61 12.61 69.18 Favored Glycine 0 C--O 1.227 -0.291 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.358 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -105.3 14.4 28.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.374 0.607 . . . . 0.0 110.14 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -114.91 -4.36 12.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.194 0.997 . . . . 0.0 108.849 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.518 HG22 ' HA ' ' A' ' 11' ' ' ALA . 10.4 p -121.12 156.22 24.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.247 -171.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.673 ' HD3' HD22 ' A' ' 12' ' ' LEU . 25.4 mtpp -117.65 155.05 50.95 Favored Pre-proline 0 C--N 1.328 -0.361 0 C-N-CA 122.094 0.158 . . . . 0.0 110.853 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -51.78 144.25 35.5 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 123.47 2.78 . . . . 0.0 112.29 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.654 HD23 ' HB2' ' A' ' 10' ' ' GLN . 77.9 mt -50.48 126.85 16.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.489 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.865 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.54 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.355 0.122 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 p -90.38 37.22 0.9 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.135 0.493 . . . . 0.0 110.258 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t 64.72 -179.41 0.18 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.732 -176.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.92 66.43 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.78 -177.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.452 ' HB3' ' H ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER 44.87 -160.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.166 -1.379 . . . . 0.0 113.586 178.615 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.452 ' H ' ' HB3' ' A' ' 5' ' ' ASP . 45.6 mt -103.59 -151.6 0.44 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.033 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -102.82 162.29 13.05 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 176.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -123.21 144.66 49.23 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 174.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.621 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 32.2 m-85 -125.64 152.5 45.11 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -177.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.423 ' HG2' ' HA2' ' A' ' 28' ' ' GLY . 12.2 tt0 -109.37 131.13 55.35 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.58 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -79.9 135.35 36.41 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.283 0.563 . . . . 0.0 111.233 -174.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 mt -66.04 -39.05 89.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.596 -1.184 . . . . 0.0 111.959 -173.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -149.88 170.22 19.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.525 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.523 ' HB3' ' H ' ' A' ' 27' ' ' ASP . 52.2 p -83.58 146.99 28.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.596 -176.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.613 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 63.3 t80 -137.29 141.52 41.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.071 -175.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.428 ' HA ' HD13 ' A' ' 16' ' ' ILE . 49.4 mm -108.87 127.67 26.9 Favored Pre-proline 0 C--N 1.319 -0.747 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.543 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 44.6 Cg_exo -54.6 133.31 56.2 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 123.309 2.673 . . . . 0.0 112.884 -176.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -98.84 -30.97 12.1 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 175.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.529 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 52.2 m-80 -115.17 155.97 26.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.154 173.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -71.04 -21.42 62.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.377 0.608 . . . . 0.0 110.499 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -71.57 -20.44 62.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.669 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.529 ' HG3' ' HB2' ' A' ' 19' ' ' ASN . 90.5 mt-10 -84.92 154.51 22.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.473 0.654 . . . . 0.0 111.141 -175.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.682 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 17.5 tp -94.34 144.56 25.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.256 -175.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.543 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 5.9 tt0 -77.39 116.74 18.23 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 173.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.613 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 0.9 OUTLIER -106.97 130.71 54.57 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.218 -170.199 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.498 ' HG2' ' CZ ' ' A' ' 48' ' ' ARG . 16.0 mmt180 -115.32 146.1 41.85 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 173.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.523 ' H ' ' HB3' ' A' ' 14' ' ' SER . 7.5 p-10 -56.02 126.28 25.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.473 0.654 . . . . 0.0 111.115 -176.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.423 ' HA2' ' HG2' ' A' ' 10' ' ' GLN . . . 85.91 29.12 26.91 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 114.976 -1.011 . . . . 0.0 113.111 -176.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.463 ' OD2' ' HD3' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -85.96 147.88 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.724 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.621 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.6 mp -104.35 137.07 34.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 p -109.72 136.56 45.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.741 0.782 . . . . 0.0 112.169 -173.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.663 ' HB3' HH12 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -125.45 119.13 27.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.246 -1.343 . . . . 0.0 108.051 174.077 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.919 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -79.86 121.95 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 122.15 0.976 . . . . 0.0 112.77 -173.158 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.648 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 21.3 mmt -83.44 -40.84 18.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 113.866 -1.515 . . . . 0.0 110.275 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' HB3' HG22 ' A' ' 43' ' ' VAL . 30.6 tt0 -147.81 141.44 25.55 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 37.9 mtmt -100.66 127.28 47.12 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 -176.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.0 m -93.51 132.85 37.4 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 169.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.53 -17.67 55.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.897 -172.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.6 -22.5 60.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.06 7.68 9.21 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.31 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -101.76 139.32 37.57 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.441 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 5.4 m-85 -124.02 164.81 18.6 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.796 176.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.919 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.2 t -90.2 152.61 3.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 172.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.599 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -145.6 153.5 25.33 Favored Glycine 0 C--N 1.302 -1.343 0 C-N-CA 119.99 -1.1 . . . . 0.0 112.891 -171.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m -114.01 127.91 56.16 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.0 t -78.84 133.79 36.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.001 0.429 . . . . 0.0 111.029 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.663 HH12 ' HB3' ' A' ' 32' ' ' ASP . 4.5 mpt_? -67.45 -13.14 61.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.93 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.498 ' CZ ' ' HG2' ' A' ' 26' ' ' ARG . 13.3 mtp180 -84.53 -81.15 0.19 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.24 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 t -86.05 -0.94 56.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.648 -173.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt 60.43 29.11 18.75 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.555 178.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' ' 51' ' ' GLN . 13.2 mm-40 -90.54 162.49 15.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.411 178.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -115.95 107.84 15.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.846 -174.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.682 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.01 151.51 20.47 Favored Glycine 0 C--O 1.222 -0.647 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.994 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.585 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.0 t -101.42 144.39 30.28 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 117.337 0.569 . . . . 0.0 110.462 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -159.09 163.4 24.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.008 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -56.09 134.26 63.05 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.561 2.174 . . . . 0.0 112.611 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.91 -18.36 65.53 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.705 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -91.67 40.6 1.04 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.28 1.038 . . . . 0.0 108.607 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -136.15 -6.64 2.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.352 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' A' ' 11' ' ' ALA . 9.2 p -121.57 159.84 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.557 -173.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.464 ' HB2' ' HE3' ' A' ' 61' ' ' LYS . 11.1 ptmt -120.54 150.4 52.11 Favored Pre-proline 0 C--N 1.331 -0.231 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.949 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -60.82 146.89 96.77 Favored 'Trans proline' 0 N--CA 1.473 0.278 0 C-N-CA 123.579 2.853 . . . . 0.0 112.452 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.1 mt -60.98 126.87 28.95 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.299 175.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 p90 . . . . . 0 C--O 1.247 0.968 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.144 -175.365 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 m -74.64 110.39 8.9 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 m 60.17 -141.16 0.59 Allowed 'General case' 0 C--O 1.236 0.377 0 O-C-N 123.497 0.498 . . . . 0.0 110.296 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.44 107.6 3.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.196 0.522 . . . . 0.0 110.425 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -112.2 10.08 20.14 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.811 1.291 . . . . 0.0 109.241 -176.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.649 HD11 ' HE2' ' A' ' 36' ' ' LYS . 11.3 mt -86.98 -170.8 3.22 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 113.355 -1.748 . . . . 0.0 111.063 -176.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -135.4 171.58 14.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.415 -178.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.579 ' HB2' HD12 ' A' ' 63' ' ' LEU . 4.1 m -95.87 140.65 30.34 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.045 177.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.581 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 25.3 m-85 -126.21 155.0 42.51 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.458 -175.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.654 ' HB2' HD23 ' A' ' 63' ' ' LEU . 32.9 tt0 -109.8 128.67 55.46 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.663 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -80.31 134.73 36.09 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.473 0.654 . . . . 0.0 111.302 -173.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.75 -41.55 99.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.468 -173.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -150.82 177.14 10.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.295 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 m -77.55 150.11 34.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.099 0.476 . . . . 0.0 111.885 -174.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.59 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 70.9 t80 -131.45 138.52 49.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.543 -177.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.441 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 49.8 mm -111.07 126.7 28.16 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 17.5 Cg_exo -63.48 131.85 33.39 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.546 2.164 . . . . 0.0 112.215 -177.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -84.54 -42.24 15.69 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 173.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -115.75 153.56 31.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.073 171.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.14 -3.35 22.77 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -77.38 -24.7 50.53 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 170.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -84.07 157.04 21.9 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.662 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.646 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 17.0 tp -98.86 139.35 34.67 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.695 -171.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.547 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 4.6 tt0 -78.31 115.68 18.2 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 172.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.663 HD13 ' CB ' ' A' ' 11' ' ' ALA . 1.5 tm? -113.02 134.38 54.54 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.935 -168.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.448 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 9.7 tpt180 -111.91 143.82 42.26 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 172.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -49.39 128.68 17.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.763 0.792 . . . . 0.0 111.616 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.45 25.3 59.22 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 114.641 -1.163 . . . . 0.0 113.392 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.443 ' O ' ' HA ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -78.78 149.24 32.68 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.138 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.581 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -104.63 132.01 52.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.1 p -109.52 131.64 59.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.765 0.793 . . . . 0.0 111.671 -175.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.49 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 34.7 t70 -115.85 112.28 21.7 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 113.905 -1.498 . . . . 0.0 107.877 173.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.845 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.59 125.16 36.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 122.016 0.912 . . . . 0.0 112.329 -171.386 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.441 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 94.5 mmm -88.28 -27.74 21.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.551 -177.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.826 ' HB3' HG22 ' A' ' 43' ' ' VAL . 34.1 tt0 -160.86 147.27 15.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.056 -177.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.649 ' HE2' HD11 ' A' ' 6' ' ' LEU . 86.9 mttt -97.3 118.21 33.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.047 178.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.4 m -91.08 129.2 37.11 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.41 -22.43 61.42 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.152 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -64.57 -21.36 66.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.251 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.15 4.72 15.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.046 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.468 ' CE3' ' HA ' ' A' ' 55' ' ' PHE . 12.3 m0 -105.36 155.01 19.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.407 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 14.3 m-85 -117.97 159.97 22.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 167.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.845 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 4.4 t -91.48 158.62 2.87 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 173.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.49 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -162.52 155.94 27.42 Favored Glycine 0 C--N 1.304 -1.246 0 C-N-CA 119.964 -1.112 . . . . 0.0 112.664 -171.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.7 m -109.91 132.46 54.13 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.37 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.536 ' OG ' ' HG2' ' A' ' 48' ' ' ARG . 46.0 t -78.04 140.62 39.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.062 -174.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.567 ' HD2' ' HB ' ' A' ' 30' ' ' ILE . 3.9 mmp_? -75.85 -33.51 60.03 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.676 0.751 . . . . 0.0 110.492 -177.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.536 ' HG2' ' OG ' ' A' ' 46' ' ' SER . 3.5 ptm180 -76.18 -46.73 27.11 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.486 -1.233 . . . . 0.0 112.582 -174.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.437 ' N ' ' HG3' ' A' ' 48' ' ' ARG . 10.4 t -121.19 4.56 10.33 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -170.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 50.83 30.16 4.92 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -82.95 160.59 22.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -115.83 101.3 8.68 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.646 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -134.24 149.73 19.85 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.846 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.698 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 5.3 t -101.09 143.33 31.33 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.849 0.357 . . . . 0.0 110.08 178.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.468 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 49.9 p90 -157.87 166.72 15.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 51.1 Cg_exo -54.29 132.54 51.21 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.289 1.993 . . . . 0.0 112.407 -178.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.7 -11.5 77.05 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.354 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.02 22.49 10.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.818 0.818 . . . . 0.0 109.68 177.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.407 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 3.0 t80 -113.29 -7.13 13.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.505 -1.225 . . . . 0.0 108.539 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 11' ' ' ALA . 10.3 p -121.26 154.53 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.286 -175.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.444 ' HE3' ' HB2' ' A' ' 61' ' ' LYS . 11.7 ptmt -122.71 150.29 58.02 Favored Pre-proline 0 C--N 1.328 -0.346 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.415 -176.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.18 141.83 47.44 Favored 'Trans proline' 0 N--CA 1.477 0.506 0 C-N-CA 123.952 3.101 . . . . 0.0 113.781 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.654 HD23 ' HB2' ' A' ' 10' ' ' GLN . 58.3 mt -58.51 149.52 25.15 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.239 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 . . . . . 0 C--O 1.249 1.043 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.198 -176.632 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 75.4 p 50.45 -91.12 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.17 0.988 . . . . 0.0 112.712 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -82.39 -33.44 28.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.425 0.631 . . . . 0.0 110.288 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -88.97 122.53 32.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.725 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -128.67 152.53 48.28 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.121 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 37.8 mt -102.27 -172.39 2.13 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.857 -173.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.3 m-30 -102.14 156.01 17.83 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.763 ' HB2' HD12 ' A' ' 63' ' ' LEU . 5.5 m -122.45 146.69 47.14 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.781 -171.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.499 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 5.9 m-85 -122.05 151.84 40.43 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.509 ' HB2' HD23 ' A' ' 63' ' ' LEU . 25.9 tt0 -109.1 131.2 55.29 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.551 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.64 139.2 37.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.472 0.653 . . . . 0.0 111.37 -172.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -64.62 -40.2 95.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.168 -173.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.449 ' CZ ' ' HE2' ' A' ' 59' ' ' TYR . 36.2 p90 -151.74 -179.91 7.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.311 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.9 p -83.76 143.21 30.14 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 123.384 0.427 . . . . 0.0 111.603 -175.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.701 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 74.3 t80 -129.25 142.32 50.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.638 -175.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.412 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 50.4 mm -110.55 129.02 24.4 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.299 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 32.4 Cg_exo -58.73 134.98 64.13 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.465 2.777 . . . . 0.0 113.205 -177.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -88.67 -37.17 15.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 172.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -120.07 167.36 12.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.621 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -79.9 -5.86 56.34 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.33 -33.75 71.86 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.374 169.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.515 ' HA ' ' O ' ' A' ' 54' ' ' THR . 87.8 mt-10 -84.88 162.32 19.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.133 -171.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.691 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 20.4 tp -103.54 145.09 30.53 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.494 -1.23 . . . . 0.0 110.099 -175.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.49 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 7.2 tt0 -81.21 115.29 20.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 172.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.701 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -113.19 135.15 54.13 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.12 -165.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.734 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 22.0 tpt180 -106.9 156.46 18.68 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -59.57 137.23 58.09 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.219 173.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.413 ' HA2' ' HG2' ' A' ' 10' ' ' GLN . . . 64.85 28.11 72.98 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.879 -178.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -95.94 149.16 21.87 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.61 ' CG2' ' HB3' ' A' ' 8' ' ' SER . 2.5 mp -100.31 133.03 44.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 120.935 0.397 . . . . 0.0 110.72 -173.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.783 HG22 ' HA3' ' A' ' 44' ' ' GLY . 3.7 p -111.63 132.84 59.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.537 0.684 . . . . 0.0 111.191 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.603 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 4.1 m-20 -121.59 117.11 25.93 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.402 -1.272 . . . . 0.0 108.392 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.865 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -75.92 119.92 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.857 0.836 . . . . 0.0 112.442 -170.292 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.583 ' HE2' ' HE2' ' A' ' 52' ' ' PHE . 24.2 mmt -91.27 -32.1 15.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.574 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.525 ' O ' HG22 ' A' ' 43' ' ' VAL . 28.7 tt0 -146.03 146.74 31.08 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 37.0 mtmt -114.15 132.65 56.0 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -173.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 62.6 m -77.16 134.87 38.55 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 161.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.46 -25.13 34.82 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.617 0.573 . . . . 0.0 111.959 -169.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -160.56 81.36 0.67 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.867 0.365 . . . . 0.0 110.43 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.95 -94.57 0.11 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.394 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.479 ' CE3' ' HA ' ' A' ' 56' ' ' PRO . 0.6 OUTLIER -106.84 162.03 14.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.937 0.399 . . . . 0.0 110.914 -171.296 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.543 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 9.4 m-85 -128.2 169.34 14.26 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 174.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.865 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 5.9 t -90.4 169.53 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 175.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.783 ' HA3' HG22 ' A' ' 31' ' ' VAL . . . -162.22 155.46 26.75 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 119.957 -1.116 . . . . 0.0 112.684 -176.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.4 m -110.85 127.1 55.29 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.444 ' N ' HD21 ' A' ' 23' ' ' LEU . 44.4 t -78.87 133.51 36.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.938 0.399 . . . . 0.0 110.809 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.609 HH11 ' HG3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -77.14 4.51 10.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.678 177.828 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.734 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 65.8 mtp180 -85.35 -70.14 0.61 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.825 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -113.12 12.87 19.22 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.951 -174.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt 53.19 35.87 21.04 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 51' ' ' GLN . 13.6 mm-40 -98.37 164.75 12.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.194 175.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.583 ' HE2' ' HE2' ' A' ' 34' ' ' MET . 29.3 m-85 -115.91 108.68 16.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.631 -172.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.691 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.56 154.57 21.8 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.787 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.4 t -101.94 151.42 22.13 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 117.063 0.432 . . . . 0.0 110.545 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.602 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 49.5 p90 -164.86 168.47 8.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 176.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.531 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 69.0 Cg_exo -50.96 134.07 41.65 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.531 2.154 . . . . 0.0 113.738 -175.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.76 -11.04 66.3 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.412 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -94.23 17.81 12.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.671 0.748 . . . . 0.0 109.231 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.523 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 7.6 t80 -120.34 -6.44 9.84 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.228 -173.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.526 HG21 HG12 ' A' ' 31' ' ' VAL . 9.1 p -123.8 154.04 30.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.746 -176.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.465 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 10.0 ptmm? -123.61 158.37 59.44 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 120.423 0.154 . . . . 0.0 110.639 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 11.4 Cg_endo -52.74 150.97 20.76 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.304 2.669 . . . . 0.0 112.314 177.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' A' ' 8' ' ' SER . 60.9 mt -61.62 161.78 9.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.441 0.638 . . . . 0.0 112.286 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.9 p90 . . . . . 0 C--O 1.248 1.0 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.425 -177.414 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.84 0.352 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -79.85 -54.42 5.84 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -80.46 164.64 22.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.033 172.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -92.18 79.9 5.08 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-O 121.77 0.795 . . . . 0.0 109.149 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -123.8 -151.84 0.49 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.968 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.6 mt -61.07 -179.41 0.14 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.829 0.823 . . . . 0.0 111.706 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -141.3 161.61 37.48 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.833 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.514 ' HB2' HD12 ' A' ' 63' ' ' LEU . 7.6 m -84.97 147.81 26.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.055 -176.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.532 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 20.3 m-85 -116.66 151.72 35.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.554 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.7 ' HB2' HD23 ' A' ' 63' ' ' LEU . 42.5 tt0 -110.07 128.99 55.75 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 174.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.656 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.62 139.85 37.31 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.449 0.642 . . . . 0.0 111.346 -173.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.56 HD22 ' HD3' ' A' ' 61' ' ' LYS . 13.1 mt -70.34 -37.32 74.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.946 -175.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.497 ' CZ ' ' HE2' ' A' ' 59' ' ' TYR . 46.2 p90 -151.93 -178.83 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.296 178.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.3 p -86.72 140.34 29.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.023 0.44 . . . . 0.0 111.463 -176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.698 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 60.4 t80 -125.23 139.99 53.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.08 -177.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 42.0 mm -110.36 129.87 23.48 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.07 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.545 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.4 Cg_exo -54.63 133.83 59.03 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.386 2.724 . . . . 0.0 113.23 -175.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -92.24 -34.28 14.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -114.9 160.88 19.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.466 173.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -75.62 -15.47 60.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.079 0.466 . . . . 0.0 110.755 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.86 -13.0 58.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.628 0.728 . . . . 0.0 109.561 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -84.61 172.03 11.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.08 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.676 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 21.6 tp -111.73 142.35 44.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.164 -172.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.545 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.9 tt0 -79.95 116.39 20.07 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 172.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.698 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.1 tm? -113.66 135.25 54.13 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.23 -168.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.627 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 21.1 tpt180 -106.15 155.6 19.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.8 0.333 . . . . 0.0 110.48 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -63.47 134.01 54.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.071 0.462 . . . . 0.0 110.865 174.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.73 33.12 85.91 Favored Glycine 0 N--CA 1.453 -0.201 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.572 -176.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -97.98 141.93 30.33 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 177.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.818 ' HB ' ' HD3' ' A' ' 47' ' ' ARG . 2.6 mp -99.25 127.6 51.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.044 0.449 . . . . 0.0 110.229 -176.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.41 HG22 ' CZ ' ' A' ' 55' ' ' PHE . 7.3 p -119.9 144.04 29.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.233 0.54 . . . . 0.0 111.851 -175.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.568 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 28.6 m-20 -114.14 126.91 55.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.15 173.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.881 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -77.06 123.86 34.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 121.717 0.77 . . . . 0.0 111.467 178.577 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.576 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 21.8 mmt -83.72 -36.95 23.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.355 -1.293 . . . . 0.0 110.404 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -148.96 141.21 24.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.607 176.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.467 ' HG2' HG22 ' A' ' 33' ' ' VAL . 43.1 mtmt -101.55 131.93 47.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.006 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.544 ' HB2' ' HD1' ' A' ' 41' ' ' TRP . 37.4 m -97.36 134.88 40.04 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 171.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -56.88 -31.31 64.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.84 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -56.65 -51.22 69.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.443 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.17 -8.59 0.32 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 119.683 -1.246 . . . . 0.0 114.18 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.691 ' HB3' ' HA ' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -106.38 149.33 27.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.188 0.994 . . . . 0.0 110.745 -179.534 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.485 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 10.6 m-85 -122.62 171.15 9.34 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -177.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.881 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.2 t -90.68 164.33 2.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 172.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.568 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -159.7 156.43 27.61 Favored Glycine 0 C--N 1.31 -0.864 0 C-N-CA 119.466 -1.35 . . . . 0.0 113.763 -171.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -120.95 127.63 51.99 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 173.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.444 ' N ' HD21 ' A' ' 23' ' ' LEU . 47.3 t -85.1 140.76 30.72 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 110.749 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.818 ' HD3' ' HB ' ' A' ' 30' ' ' ILE . 7.6 mtm180 -68.86 -17.2 63.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.394 -178.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.627 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 57.0 mtp180 -78.05 -83.62 0.08 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.009 -173.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.8 t -92.28 11.36 26.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.174 -171.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt 55.54 36.21 26.7 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.405 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -96.36 161.48 13.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -116.6 105.05 12.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.657 -177.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.676 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.18 154.72 21.73 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.398 -177.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.3 t -101.37 150.46 22.99 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 117.133 0.466 . . . . 0.0 110.249 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.489 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 52.3 p90 -165.48 166.29 10.47 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.691 ' HA ' ' HB3' ' A' ' 41' ' ' TRP . 52.9 Cg_exo -52.36 134.23 50.85 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.661 2.241 . . . . 0.0 113.085 -178.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.498 ' H ' ' HA ' ' A' ' 41' ' ' TRP . . . -94.3 -2.84 63.63 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.928 -179.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -101.1 23.98 10.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 122.423 1.106 . . . . 0.0 108.204 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.507 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 5.8 t80 -119.09 -16.69 9.11 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.148 -178.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.569 HG22 ' HA ' ' A' ' 11' ' ' ALA . 10.7 p -119.89 150.33 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.019 -177.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.56 ' HD3' HD22 ' A' ' 12' ' ' LEU . 41.4 mtpt -120.83 156.45 56.38 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -174.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 61' ' ' LYS . 16.1 Cg_endo -54.1 148.29 40.36 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 124.061 3.174 . . . . 0.0 112.855 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.7 HD23 ' HB2' ' A' ' 10' ' ' GLN . 79.6 mt -61.75 128.61 37.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.207 176.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 p90 . . . . . 0 N--CA 1.436 -1.14 0 CA-C-O 118.537 -0.744 . . . . 0.0 110.832 -179.284 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.5 m 72.49 -57.86 0.61 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.582 0.551 . . . . 0.0 109.673 -172.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m -94.24 141.3 28.71 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -60.58 118.5 6.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.369 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -77.25 151.39 35.14 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 172.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.0 mt -99.04 -176.06 3.21 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.772 -176.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -100.63 156.2 17.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.425 -170.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.2 m -93.54 145.79 24.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.441 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.514 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 12.2 m-85 -129.32 154.91 46.41 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.596 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.611 ' HB2' HD23 ' A' ' 63' ' ' LEU . 43.8 tt0 -109.02 128.38 54.9 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.593 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -80.39 139.37 36.55 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.521 -172.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.608 HD22 ' HD3' ' A' ' 61' ' ' LYS . 14.2 mt -75.21 -31.84 61.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.69 -174.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -144.67 179.23 7.43 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.43 -175.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.1 m -91.0 136.19 33.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.85 0.357 . . . . 0.0 110.306 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.678 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 52.3 t80 -109.11 133.44 53.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.101 -177.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.7 mm -108.5 118.46 52.02 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 173.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 51.6 Cg_exo -54.95 132.93 55.14 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 123.42 2.747 . . . . 0.0 113.229 -175.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -76.98 -32.15 57.03 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 174.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -133.18 155.23 49.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.069 -1.423 . . . . 0.0 107.558 169.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -72.7 -8.49 55.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.668 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -62.32 -29.23 70.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.627 0.727 . . . . 0.0 109.076 169.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.514 ' HA ' ' O ' ' A' ' 54' ' ' THR . 22.8 mt-10 -83.54 158.29 22.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.375 177.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.774 HD11 ' HG3' ' A' ' 51' ' ' GLN . 16.7 tp -91.97 135.2 34.14 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.844 -173.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.459 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 6.4 tt0 -77.21 115.16 16.76 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 172.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.678 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 2.8 tm? -114.2 136.14 53.28 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.786 -166.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -104.87 151.57 23.68 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.731 0.301 . . . . 0.0 110.282 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -56.86 133.95 54.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.582 0.705 . . . . 0.0 111.464 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.31 27.45 72.45 Favored Glycine 0 C--N 1.32 -0.346 0 CA-C-N 115.034 -0.984 . . . . 0.0 113.006 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.401 ' HB3' HD21 ' A' ' 25' ' ' LEU . 46.3 t0 -89.91 142.65 27.5 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.625 ' HB ' ' HD3' ' A' ' 47' ' ' ARG . 3.0 mp -99.46 122.48 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG22 ' CZ ' ' A' ' 55' ' ' PHE . 11.0 p -112.96 147.24 16.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.478 -174.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.471 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 17.4 m-20 -120.78 127.69 52.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.121 174.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.846 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.96 123.4 33.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 122.002 0.906 . . . . 0.0 112.315 -177.359 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.616 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 96.2 mmm -82.16 -36.41 27.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 113.848 -1.524 . . . . 0.0 110.429 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.731 ' HB3' HG22 ' A' ' 43' ' ' VAL . 8.1 tp10 -146.45 138.01 24.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.151 176.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.58 ' H ' ' HD2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -100.83 121.92 42.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.463 -177.162 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.9 m -104.09 133.46 49.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.875 0.369 . . . . 0.0 110.421 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.29 -10.57 43.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.571 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -76.96 -12.25 59.92 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.288 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.5 -2.12 23.49 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.286 -0.959 . . . . 0.0 113.493 174.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 3.6 p90 -121.44 154.3 36.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 117.681 0.741 . . . . 0.0 110.062 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.496 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 12.3 m-85 -123.52 164.33 19.19 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.846 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.7 t -90.49 155.93 3.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 171.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -152.63 153.9 25.17 Favored Glycine 0 C--N 1.302 -1.32 0 C-N-CA 119.557 -1.306 . . . . 0.0 113.069 -172.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 m -112.98 128.06 56.4 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.6 t -87.35 139.94 30.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.114 0.483 . . . . 0.0 110.507 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.625 ' HD3' ' HB ' ' A' ' 30' ' ' ILE . 46.2 mtm180 -73.75 -9.31 58.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.703 -176.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -66.34 -53.45 36.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.695 -172.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -138.64 19.93 2.7 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.483 0.658 . . . . 0.0 110.304 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 59.18 42.97 17.82 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.831 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.774 ' HG3' HD11 ' A' ' 23' ' ' LEU . 26.7 pt20 -96.43 156.17 16.45 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.496 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -117.22 113.01 21.6 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.072 0.463 . . . . 0.0 110.87 -171.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.629 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.41 150.24 20.2 Favored Glycine 0 C--O 1.221 -0.693 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.882 178.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.608 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.0 t -101.53 144.41 30.33 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 117.402 0.601 . . . . 0.0 110.422 178.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.426 ' CZ ' HG22 ' A' ' 31' ' ' VAL . 50.6 p90 -163.6 161.3 17.57 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -56.06 134.06 61.86 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 122.718 2.278 . . . . 0.0 112.485 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.32 -5.79 88.44 Favored Glycine 0 C--O 1.227 -0.315 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.139 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -92.21 25.72 2.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.344 0.592 . . . . 0.0 110.02 -178.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -125.86 -7.64 6.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.823 0.82 . . . . 0.0 109.336 -175.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 11' ' ' ALA . 8.8 p -120.45 154.99 23.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.591 -175.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.608 ' HD3' HD22 ' A' ' 12' ' ' LEU . 40.1 mtpt -122.43 155.17 62.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -177.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 61' ' ' LYS . 17.6 Cg_endo -54.6 147.63 47.97 Favored 'Trans proline' 0 N--CA 1.473 0.304 0 C-N-CA 124.137 3.225 . . . . 0.0 113.565 -178.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.611 HD23 ' HB2' ' A' ' 10' ' ' GLN . 52.2 mt -66.35 170.63 5.73 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.039 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.8 p90 . . . . . 0 C--O 1.244 0.791 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.011 174.868 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.9 p 39.17 48.17 1.5 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.913 0.885 . . . . 0.0 112.784 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 m -112.29 175.64 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.566 178.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -70.43 118.75 13.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.979 0.419 . . . . 0.0 110.134 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.21 149.67 49.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.457 -0.792 . . . . 0.0 108.963 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.5 mt -85.74 -154.15 0.2 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.092 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -98.23 142.77 29.48 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.406 ' HB2' HD12 ' A' ' 63' ' ' LEU . 15.2 m -121.8 145.47 48.03 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 121.396 0.617 . . . . 0.0 110.657 -173.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.588 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 23.8 m-85 -133.49 155.3 49.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.543 -176.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -109.21 130.11 55.49 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.625 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.46 138.97 37.77 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.533 0.682 . . . . 0.0 111.64 -171.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.437 HD22 ' HB3' ' A' ' 61' ' ' LYS . 14.5 mt -73.88 -33.8 64.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.299 -175.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -144.23 158.16 43.88 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.508 -174.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 m -73.61 135.37 43.83 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.531 174.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.703 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 50.5 t80 -121.72 133.27 54.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.964 -177.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.418 ' HA ' HD13 ' A' ' 16' ' ' ILE . 50.6 mm -103.23 127.54 29.51 Favored Pre-proline 0 C--N 1.313 -0.996 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.407 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.523 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 32.2 Cg_exo -54.91 132.91 54.91 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.965 2.443 . . . . 0.0 112.917 -175.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -93.11 -35.31 13.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 173.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.571 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 5.4 m-20 -116.88 152.22 34.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.559 -1.201 . . . . 0.0 108.583 176.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.88 1.81 25.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.012 0.435 . . . . 0.0 111.209 -178.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -88.49 -14.17 38.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.757 0.789 . . . . 0.0 108.934 170.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.571 ' HG3' ' HB2' ' A' ' 19' ' ' ASN . 84.1 mt-10 -88.05 171.87 9.96 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.357 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.711 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 16.7 tp -109.35 143.32 39.05 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.52 -172.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.523 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.1 tt0 -78.18 115.04 17.62 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 168.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.703 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -115.73 136.0 53.49 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.22 -167.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' A' ' 26' ' ' ARG . 17.3 mmt180 -116.07 152.26 33.94 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.281 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -58.11 134.45 56.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.428 0.632 . . . . 0.0 110.569 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.26 35.62 60.28 Favored Glycine 0 C--N 1.317 -0.504 0 CA-C-N 115.081 -0.963 . . . . 0.0 112.668 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -108.41 148.7 29.77 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 175.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.588 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -99.82 134.73 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.862 0.363 . . . . 0.0 110.389 -174.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.47 ' HB ' ' HZ ' ' A' ' 55' ' ' PHE . 7.1 p -110.16 141.65 24.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-O 121.241 0.543 . . . . 0.0 111.287 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.628 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 32.7 t70 -133.09 119.2 19.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.285 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.878 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -75.97 124.12 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 122.054 0.93 . . . . 0.0 113.109 -168.035 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.801 ' HA ' ' HE3' ' A' ' 34' ' ' MET . 12.8 mmt -91.27 -32.5 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 113.98 -1.463 . . . . 0.0 110.065 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.662 ' HB3' HG22 ' A' ' 43' ' ' VAL . 9.0 tp10 -155.04 142.27 19.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.231 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.78 127.61 55.85 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.26 0.552 . . . . 0.0 112.276 -175.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.2 m -90.18 145.39 25.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -60.63 -24.58 65.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.732 -168.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.74 -23.26 53.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.397 . . . . 0.0 111.165 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.13 14.1 5.65 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.362 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -95.66 121.46 37.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -114.65 159.95 19.9 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.2 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.878 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 11.3 t -91.1 155.89 3.04 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.864 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 173.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.628 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -155.93 154.87 25.86 Favored Glycine 0 C--N 1.298 -1.538 0 C-N-CA 120.007 -1.092 . . . . 0.0 112.322 -171.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.492 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 7.4 m -108.1 127.26 53.64 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.1 t -79.01 134.58 36.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.11 0.481 . . . . 0.0 110.786 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.452 ' HD3' ' HB ' ' A' ' 30' ' ' ILE . 2.5 mpt_? -67.16 -9.45 40.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.671 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -77.89 -81.98 0.09 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.484 -177.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.6 t -95.63 8.81 42.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.498 -173.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.3 mptt 57.72 29.86 18.0 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 178.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -99.14 161.33 13.68 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.158 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.492 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 13.8 p90 -117.57 122.05 42.61 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.805 0.812 . . . . 0.0 110.346 -175.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.711 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -137.69 156.51 23.69 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.411 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.754 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 10.9 t -101.31 144.17 30.48 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 117.646 0.723 . . . . 0.0 111.08 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.47 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 50.2 p90 -160.05 165.2 18.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.872 177.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 32.5 Cg_exo -56.67 133.67 59.5 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.531 2.154 . . . . 0.0 113.236 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.87 -6.63 85.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.507 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -92.43 11.09 27.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.372 0.606 . . . . 0.0 110.122 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -117.92 0.12 11.83 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 122.519 1.152 . . . . 0.0 108.846 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 11' ' ' ALA . 9.7 p -123.82 155.91 30.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.715 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.437 ' HB3' HD22 ' A' ' 12' ' ' LEU . 8.0 ptmm? -119.87 154.02 55.07 Favored Pre-proline 0 C--O 1.222 -0.365 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.931 -178.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -55.65 146.62 64.15 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.571 2.847 . . . . 0.0 112.974 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.515 HD22 HG13 ' A' ' 30' ' ' ILE . 69.4 mt -64.75 150.19 47.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.278 175.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.6 p90 . . . . . 0 N--CA 1.44 -0.973 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.385 -178.802 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.555 0.217 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.4 m -69.32 105.36 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 174.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -122.67 166.92 14.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.21 -173.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 72.48 130.89 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 124.029 0.831 . . . . 0.0 112.275 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -98.31 -174.4 2.83 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.127 174.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.8 mt -80.05 -173.74 4.1 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.182 0.515 . . . . 0.0 110.166 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -127.47 159.71 33.7 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.87 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m -122.77 144.19 49.34 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.237 177.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.61 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 9.8 m-85 -126.63 155.05 43.15 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.699 -176.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.477 ' HB2' HD23 ' A' ' 63' ' ' LEU . 34.6 tt0 -109.72 129.43 55.61 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.621 ' HA ' HG22 ' A' ' 60' ' ' VAL . . . -79.97 138.97 37.19 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.503 0.668 . . . . 0.0 111.535 -171.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.06 -36.67 72.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.554 -176.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.467 ' HA ' ' OD2' ' A' ' 27' ' ' ASP . 89.3 m-85 -147.05 179.96 7.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.077 -176.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.524 ' HB3' ' H ' ' A' ' 27' ' ' ASP . 19.8 p -95.88 135.33 37.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.334 0.588 . . . . 0.0 111.753 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.668 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 65.4 t80 -110.78 137.25 48.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.172 -177.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.435 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 50.5 mm -105.62 125.09 34.22 Favored Pre-proline 0 C--N 1.318 -0.803 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 175.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.1 Cg_exo -58.61 133.44 54.33 Favored 'Trans proline' 0 N--CA 1.472 0.211 0 C-N-CA 123.078 2.519 . . . . 0.0 113.128 -176.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -81.56 -45.85 15.29 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 172.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -113.94 166.9 11.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.129 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.81 -15.04 61.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.003 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 54' ' ' THR . 28.8 m-20 -73.68 -23.72 59.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.729 176.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.462 ' HA ' ' O ' ' A' ' 54' ' ' THR . 17.9 mt-10 -82.94 163.1 21.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.266 -177.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.676 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 20.4 tp -105.33 143.46 33.47 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.238 -176.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.47 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.9 tt0 -77.21 115.13 16.73 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 172.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.668 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 1.7 tm? -108.67 136.63 47.94 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -170.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.439 ' HA ' ' CB ' ' A' ' 14' ' ' SER . 28.0 mmt180 -117.8 153.86 32.74 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 120.514 -0.475 . . . . 0.0 110.889 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.524 ' H ' ' HB3' ' A' ' 14' ' ' SER . 4.2 m-20 -53.25 131.94 38.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.369 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.61 38.04 95.74 Favored Glycine 0 CA--C 1.518 0.249 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.91 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.428 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 40.6 t0 -101.69 148.49 25.2 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 175.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.61 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.8 mp -99.48 133.8 41.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.952 0.406 . . . . 0.0 110.042 -175.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.482 ' HB ' ' HZ ' ' A' ' 55' ' ' PHE . 5.1 p -110.5 137.35 43.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.527 0.679 . . . . 0.0 111.05 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.603 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 18.3 t70 -124.8 116.33 22.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.128 175.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.88 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -75.96 123.26 31.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.896 0.855 . . . . 0.0 112.703 -169.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.8 mmm -87.52 -32.67 19.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.502 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.873 ' HB3' HG22 ' A' ' 43' ' ' VAL . 32.1 tt0 -151.92 142.51 22.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.858 -176.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -108.54 132.18 54.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.928 0.394 . . . . 0.0 111.912 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.9 m -98.93 125.59 44.4 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 165.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.72 -17.14 60.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.028 0.442 . . . . 0.0 111.579 -172.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.83 -13.89 58.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.908 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.21 -20.82 3.53 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 119.818 -1.182 . . . . 0.0 114.336 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -80.41 136.75 36.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.309 0.554 . . . . 0.0 110.64 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.427 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 8.9 m-85 -123.25 159.61 28.37 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 169.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.88 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 12.1 t -91.56 164.55 2.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 173.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.603 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -162.73 155.24 26.49 Favored Glycine 0 C--N 1.304 -1.208 0 C-N-CA 119.838 -1.173 . . . . 0.0 112.755 -173.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -110.2 127.05 54.74 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 175.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.546 ' HB3' HG22 ' A' ' 49' ' ' THR . 31.0 t -79.64 139.53 37.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 111.497 -177.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' HD3' ' O ' ' A' ' 30' ' ' ILE . 7.7 mpt_? -73.16 -11.84 60.67 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.709 177.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.432 ' HE ' ' HB3' ' A' ' 48' ' ' ARG . 23.2 mtp180 -100.7 -67.8 0.84 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.906 0.384 . . . . 0.0 111.907 -178.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.546 HG22 ' HB3' ' A' ' 46' ' ' SER . 13.4 t -76.85 -7.94 56.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.833 -172.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt 56.54 29.01 14.74 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.98 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.42 ' HB2' HG21 ' A' ' 49' ' ' THR . 30.5 mm-40 -113.32 167.26 10.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.645 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -114.95 102.55 10.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.569 -172.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.676 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -133.45 153.33 20.76 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.584 -175.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.754 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.0 t -101.99 145.45 29.27 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.482 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 50.6 p90 -159.83 164.87 19.1 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.693 176.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 51.5 Cg_exo -54.41 132.79 52.87 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.229 1.953 . . . . 0.0 112.529 -178.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.8 22.7 34.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.696 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -127.39 21.93 6.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.895 0.855 . . . . 0.0 109.15 176.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -115.73 -4.22 12.18 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.621 HG22 ' HA ' ' A' ' 11' ' ' ALA . 12.4 p -121.28 155.17 25.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.269 -176.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.462 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 8.8 ptmm? -119.14 153.6 53.18 Favored Pre-proline 0 C--O 1.223 -0.341 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.221 -176.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.05 148.7 57.04 Favored 'Trans proline' 0 N--CA 1.474 0.377 0 C-N-CA 123.686 2.924 . . . . 0.0 113.114 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.477 HD23 ' HB2' ' A' ' 10' ' ' GLN . 69.0 mt -67.69 151.38 47.35 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.477 177.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--O 1.251 1.17 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.86 177.771 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 120.945 0.403 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -102.13 -6.96 22.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.297 0.57 . . . . 0.0 110.252 175.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 p -90.59 162.92 14.77 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.287 177.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.5 pm0 -132.1 153.58 50.33 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -84.3 -162.51 0.67 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 mt -70.52 175.21 4.98 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 121.593 0.711 . . . . 0.0 111.129 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.409 ' HD1' ' HE1' ' A' ' 9' ' ' TYR . 1.5 p90 -110.71 138.96 46.45 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.589 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.538 ' HB2' HD12 ' A' ' 63' ' ' LEU . 14.6 m -115.34 147.88 39.95 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.854 -173.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.519 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 9.4 m-85 -124.05 154.04 40.48 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.642 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.436 ' HB2' HD23 ' A' ' 63' ' ' LEU . 29.3 tt0 -109.47 129.11 55.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.567 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.74 137.64 37.07 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.546 0.689 . . . . 0.0 111.102 -175.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.29 -40.51 97.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.356 -1.293 . . . . 0.0 111.659 -173.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.414 ' CZ ' ' HE1' ' A' ' 59' ' ' TYR . 42.0 p90 -151.32 -179.94 7.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.423 -177.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.6 p -83.45 137.82 33.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.025 0.44 . . . . 0.0 110.583 -178.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.693 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 53.8 t80 -125.68 137.28 53.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.202 -176.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.428 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 49.2 mm -108.43 129.58 23.84 Favored Pre-proline 0 C--N 1.315 -0.901 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.559 -179.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.549 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 31.5 Cg_exo -55.67 132.59 53.02 Favored 'Trans proline' 0 CA--C 1.52 -0.221 0 C-N-CA 122.962 2.442 . . . . 0.0 112.719 -175.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.451 ' C ' HD21 ' A' ' 19' ' ' ASN . 11.3 mt-30 -87.88 -36.6 17.09 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 175.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.451 HD21 ' C ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER -118.42 160.56 21.48 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.885 176.09 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -73.81 -13.69 60.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.88 0.372 . . . . 0.0 111.472 -175.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.37 -13.57 49.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.048 0.451 . . . . 0.0 110.593 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -83.98 166.84 17.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.561 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.692 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 17.4 tp -99.14 136.5 39.01 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.801 -173.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.549 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 8.1 tt0 -78.09 114.51 17.04 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 170.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.693 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -114.89 135.55 54.07 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.117 -164.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -110.14 152.54 25.91 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.437 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -60.15 131.56 51.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.211 0.529 . . . . 0.0 111.294 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.24 30.65 71.62 Favored Glycine 0 C--N 1.323 -0.189 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.577 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -91.76 145.33 24.66 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 175.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.535 ' CG2' ' HB3' ' A' ' 8' ' ' SER . 2.3 mp -99.43 129.95 49.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -178.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.479 HG22 ' CZ ' ' A' ' 55' ' ' PHE . 7.3 p -119.5 144.17 28.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.174 0.511 . . . . 0.0 111.685 -176.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.524 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 29.4 m-20 -124.1 132.71 53.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.509 174.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.876 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.68 120.15 26.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 122.184 0.993 . . . . 0.0 111.491 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.751 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 85.3 mtp -83.03 -43.87 15.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 113.576 -1.647 . . . . 0.0 109.663 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.539 ' HB3' HG22 ' A' ' 43' ' ' VAL . 7.8 tp10 -141.34 147.34 37.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.079 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -107.79 128.69 54.82 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.871 -175.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.2 m -80.24 145.45 32.2 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 165.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -60.03 -19.55 53.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.283 -170.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -163.09 79.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.16 -86.14 0.15 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 119.674 -1.25 . . . . 0.0 114.23 170.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -84.53 146.85 27.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.323 0.583 . . . . 0.0 111.85 -170.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.502 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 13.9 m-85 -123.52 162.47 22.86 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 168.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.876 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.7 t -91.07 153.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 175.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.524 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -144.63 155.33 26.33 Favored Glycine 0 C--N 1.304 -1.206 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.756 -169.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.0 m -124.61 126.65 46.11 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.642 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.445 ' HB3' ' HG2' ' A' ' 48' ' ' ARG . 31.5 m -83.81 139.91 32.38 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -62.57 -18.27 61.77 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 114.935 -1.03 . . . . 0.0 113.558 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.726 ' HG3' HG22 ' A' ' 49' ' ' THR . 16.7 ptm180 -61.3 -48.9 79.25 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -174.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.726 HG22 ' HG3' ' A' ' 48' ' ' ARG . 13.3 t -152.33 20.34 0.65 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.847 0.356 . . . . 0.0 111.378 -173.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm 55.72 35.0 24.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.416 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.597 ' HG3' HD11 ' A' ' 23' ' ' LEU . 13.6 pt20 -81.86 152.91 26.65 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 174.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.636 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 14.3 p90 -120.56 119.22 32.3 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-O 121.933 0.873 . . . . 0.0 110.75 -170.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.692 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.71 150.65 20.62 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.782 177.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 6.3 t -102.02 143.96 31.22 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 117.379 0.59 . . . . 0.0 110.685 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.479 ' CZ ' HG22 ' A' ' 31' ' ' VAL . 52.2 p90 -164.16 164.88 13.86 Favored Pre-proline 0 CA--C 1.531 0.225 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.937 177.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 36.1 Cg_exo -57.78 134.11 60.62 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.47 2.114 . . . . 0.0 112.722 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.96 -2.66 89.52 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.132 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -92.94 15.79 14.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.287 0.565 . . . . 0.0 109.75 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.559 ' HH ' ' HB2' ' A' ' 15' ' ' TYR . 2.9 t80 -114.79 -13.33 12.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.985 -174.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 11' ' ' ALA . 12.6 p -119.12 153.01 21.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.347 -173.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.491 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 8.6 ptmm? -117.75 156.66 49.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.236 -174.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 14.3 Cg_endo -54.66 148.71 43.45 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 123.525 2.817 . . . . 0.0 112.703 177.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.538 HD12 ' HB2' ' A' ' 8' ' ' SER . 67.9 mt -62.19 140.58 58.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.302 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--O 1.248 0.997 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.858 178.206 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.702 ' HB2' HD11 ' A' ' 63' ' ' LEU . 4.2 m . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.587 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 15.2 m-85 -125.35 153.08 43.88 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.303 -178.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -108.28 127.9 54.27 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 176.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.757 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.55 139.22 37.6 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.94 -171.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.2 -42.0 89.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.809 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.407 ' CZ ' ' HE2' ' A' ' 59' ' ' TYR . 35.5 p90 -152.07 -179.48 7.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.007 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.475 ' HB3' ' H ' ' A' ' 27' ' ' ASP . 29.8 p -83.54 150.16 26.13 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.344 0.592 . . . . 0.0 111.78 -176.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.655 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 58.4 t80 -134.18 137.5 44.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.866 -174.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.6 mm -107.27 128.08 26.68 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.554 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 31.0 Cg_exo -59.74 132.67 46.69 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.667 2.245 . . . . 0.0 112.378 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -104.37 -29.62 10.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.152 0.977 . . . . 0.0 108.843 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -113.73 151.63 31.65 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.033 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -73.73 0.12 13.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.841 0.353 . . . . 0.0 111.196 -177.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.526 ' O ' HG22 ' A' ' 54' ' ' THR . 10.6 m-20 -97.73 -14.34 20.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.577 175.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -83.88 169.65 14.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.468 0.651 . . . . 0.0 111.725 -176.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.713 HD11 ' HG3' ' A' ' 51' ' ' GLN . 19.6 tp -110.61 140.85 44.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.626 -174.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.554 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.6 tt0 -77.92 116.02 18.1 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 172.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.757 HD11 ' CB ' ' A' ' 11' ' ' ALA . 1.1 tm? -110.28 135.68 50.64 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.747 -170.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.582 ' N ' HD13 ' A' ' 25' ' ' LEU . 26.1 mmt180 -116.13 146.5 42.21 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.754 0.312 . . . . 0.0 110.18 176.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.475 ' H ' ' HB3' ' A' ' 14' ' ' SER . 0.8 OUTLIER -50.64 124.17 10.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.42 -176.767 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.24 30.44 60.76 Favored Glycine 0 C--O 1.228 -0.239 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.984 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -88.75 150.96 22.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.587 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.4 mp -100.11 139.56 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.0 141.7 45.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.366 0.603 . . . . 0.0 111.41 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.538 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 3.6 m-20 -125.51 126.26 44.58 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.726 -1.124 . . . . 0.0 108.663 174.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.831 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.32 126.54 37.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 122.117 0.96 . . . . 0.0 112.611 -171.465 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.793 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 93.4 mmm -81.25 -37.21 28.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.024 177.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -158.84 142.15 14.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.173 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.656 ' HD2' ' H ' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -91.53 128.05 37.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.974 -179.666 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.8 m -95.12 131.66 40.89 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 172.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -70.09 -12.42 61.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.392 -173.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -78.51 -12.99 60.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.88 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.08 -14.0 4.92 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 119.481 -1.342 . . . . 0.0 115.349 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.461 ' HB3' ' HA ' ' A' ' 56' ' ' PRO . 3.9 p90 -113.98 163.48 15.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.795 1.298 . . . . 0.0 110.636 -176.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.45 ' CE2' ' HA3' ' A' ' 57' ' ' GLY . 8.4 m-85 -124.55 166.49 15.97 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.831 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.3 t -90.64 155.73 3.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 169.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.538 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -156.46 153.48 24.75 Favored Glycine 0 C--N 1.303 -1.251 0 C-N-CA 119.371 -1.395 . . . . 0.0 113.068 -174.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 9.4 m -110.76 128.96 55.94 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.407 ' HB2' HD21 ' A' ' 23' ' ' LEU . 35.1 t -78.77 139.64 38.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.339 0.59 . . . . 0.0 110.912 -178.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.55 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -70.67 -10.67 59.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.254 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -72.89 -88.37 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.179 0.514 . . . . 0.0 111.346 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.531 HG23 ' HG2' ' A' ' 51' ' ' GLN . 2.6 t -98.15 15.9 22.91 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.528 -175.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm 60.73 33.16 20.25 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.362 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.713 ' HG3' HD11 ' A' ' 23' ' ' LEU . 11.2 pt20 -92.72 153.32 19.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.222 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.507 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 6.0 p90 -117.13 121.01 40.08 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.728 0.775 . . . . 0.0 110.283 -176.308 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.655 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.5 156.96 23.36 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 114.749 -1.114 . . . . 0.0 111.448 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.616 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.8 t -101.69 143.94 31.01 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 117.675 0.737 . . . . 0.0 110.731 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.506 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 50.1 p90 -166.59 166.54 8.92 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.9 177.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.506 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 53.1 Cg_exo -52.86 133.78 52.36 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.666 2.244 . . . . 0.0 112.938 -178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.45 ' HA3' ' CE2' ' A' ' 42' ' ' PHE . . . -87.36 -9.11 73.33 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.789 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -99.46 11.39 39.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.03 0.919 . . . . 0.0 109.006 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.546 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 3.5 t80 -100.24 -11.22 20.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.374 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.699 HG23 ' HA ' ' A' ' 11' ' ' ALA . 13.5 p -120.22 156.8 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.923 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.603 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.493 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 15.3 ptmt -120.97 160.74 43.71 Favored Pre-proline 0 C--N 1.324 -0.503 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.654 -176.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.493 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 11.3 Cg_endo -52.26 142.9 44.85 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.16 2.573 . . . . 0.0 111.558 175.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 8' ' ' SER . 82.4 mt -47.38 127.95 11.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.677 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.251 1.133 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.445 -175.577 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.526 ' HB3' HG22 ' A' ' 60' ' ' VAL . 13.4 m-85 -126.34 154.89 42.89 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -177.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.482 ' HB2' HD23 ' A' ' 63' ' ' LEU . 29.7 tt0 -108.94 126.16 52.79 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.224 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.667 ' HA ' HG23 ' A' ' 60' ' ' VAL . . . -79.53 133.86 36.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.493 0.664 . . . . 0.0 110.753 -174.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.511 HD21 ' CD ' ' A' ' 61' ' ' LYS . 16.7 mt -65.56 -36.96 85.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.529 -171.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -150.36 169.01 22.42 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.23 -176.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.7 p -78.13 143.03 37.64 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.902 0.382 . . . . 0.0 110.223 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.583 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 5.6 t80 -130.93 130.09 43.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 -172.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 51.5 mm -94.48 127.16 45.12 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 52.2 Cg_exo -52.44 135.97 55.45 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.561 2.841 . . . . 0.0 113.353 -176.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -87.34 -36.55 17.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -122.24 158.99 28.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.983 178.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -74.75 -9.68 58.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -82.34 -17.31 46.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.104 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -93.29 171.66 8.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.577 0.704 . . . . 0.0 111.567 -173.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.685 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 23.6 tp -98.4 142.7 29.71 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.845 -174.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.527 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 7.0 tt0 -77.36 115.45 17.15 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 169.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.666 HD11 ' CB ' ' A' ' 11' ' ' ALA . 2.0 tm? -102.0 135.92 42.73 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.961 -170.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.516 ' HB2' ' HD3' ' A' ' 48' ' ' ARG . 25.6 mmt180 -119.58 148.16 43.64 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.12 137.4 58.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.233 0.54 . . . . 0.0 111.834 -173.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.39 24.53 76.79 Favored Glycine 0 CA--C 1.509 -0.304 0 CA-C-N 114.867 -1.06 . . . . 0.0 112.707 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.499 ' HB2' ' O ' ' A' ' 26' ' ' ARG . 7.8 t0 -88.3 142.23 27.91 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.242 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.552 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 2.5 mp -98.65 129.25 49.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.45 HG23 ' HA3' ' A' ' 44' ' ' GLY . 3.3 p -109.52 135.07 49.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-O 121.551 0.691 . . . . 0.0 111.191 -176.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.472 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 3.8 m-20 -121.05 124.68 45.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.787 174.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.902 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -76.38 120.57 26.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.708 0.766 . . . . 0.0 112.008 -175.118 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.682 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 22.8 mmt -82.72 -36.7 25.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.172 178.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.5 ' O ' HG23 ' A' ' 43' ' ' VAL . 7.5 tp10 -156.55 152.97 27.96 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.103 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -98.41 124.95 43.38 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.149 0.5 . . . . 0.0 111.254 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.8 m -82.46 135.97 35.01 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -61.4 -21.38 64.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.734 -173.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -63.21 -33.31 75.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 0.0 110.703 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.93 -0.14 7.14 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.276 -175.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.446 ' CE3' ' HA ' ' A' ' 56' ' ' PRO . 4.7 m95 -93.14 162.12 14.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.504 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 5.8 m-85 -127.37 162.47 26.23 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 176.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.902 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.9 t -89.23 151.63 3.45 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.718 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -150.27 155.65 26.32 Favored Glycine 0 C--N 1.304 -1.24 0 C-N-CA 119.858 -1.163 . . . . 0.0 112.95 -170.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.1 m -115.99 127.84 55.25 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.752 -0.263 . . . . 0.0 110.59 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 11.4 t -79.1 129.56 34.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.149 0.499 . . . . 0.0 110.837 178.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.583 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -79.75 -22.17 43.58 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.288 176.658 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.516 ' HD3' ' HB2' ' A' ' 26' ' ' ARG . 40.5 mtp180 -87.11 -40.87 14.25 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.495 -174.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.6 t -110.48 2.98 19.19 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.726 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 46' ' ' SER . 68.6 mmtt 51.02 41.09 26.94 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 176.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -118.87 161.16 20.63 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -117.39 117.22 28.9 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.869 0.843 . . . . 0.0 110.134 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.685 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.92 157.24 23.65 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.551 -179.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.583 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.8 t -101.55 143.22 31.8 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 117.508 0.654 . . . . 0.0 110.612 178.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.509 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 52.3 p90 -164.9 168.02 9.2 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.476 -177.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.509 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 52.3 Cg_exo -54.55 134.08 60.08 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.331 2.021 . . . . 0.0 113.248 -178.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.85 -7.95 59.59 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.044 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -94.35 26.35 3.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.688 0.756 . . . . 0.0 109.437 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -123.57 -10.58 7.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.086 -175.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.667 HG23 ' HA ' ' A' ' 11' ' ' ALA . 14.0 p -118.31 156.5 20.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.319 -171.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.511 ' CD ' HD21 ' A' ' 12' ' ' LEU . 33.0 mtpt -116.48 153.07 48.83 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.925 0.393 . . . . 0.0 111.747 -176.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -56.72 147.93 68.6 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.743 2.962 . . . . 0.0 112.103 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' A' ' 10' ' ' GLN . 80.8 mt -60.02 126.95 29.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.41 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.5 t80 . . . . . 0 C--O 1.25 1.13 0 O-C-N 124.668 1.23 . . . . 0.0 112.244 -177.33 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.719 ' HB2' HD11 ' A' ' 63' ' ' LEU . 3.5 m . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.601 ' HB3' HG22 ' A' ' 60' ' ' VAL . 35.0 m-85 -127.88 154.76 45.13 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.617 ' HB2' HD23 ' A' ' 63' ' ' LEU . 45.9 tt0 -109.34 127.28 54.2 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.703 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -80.02 138.45 37.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.493 0.663 . . . . 0.0 112.041 -170.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.445 HD21 ' HB3' ' A' ' 61' ' ' LYS . 10.6 mt -72.92 -36.01 67.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.821 -176.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -140.38 172.78 12.24 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.451 -174.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.5 p -92.28 133.9 35.41 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.404 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.748 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 36.7 t80 -108.94 129.17 55.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.381 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 49.7 mm -103.8 125.55 34.35 Favored Pre-proline 0 C--N 1.315 -0.894 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.52 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.1 Cg_exo -57.13 133.0 54.81 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 123.052 2.501 . . . . 0.0 113.112 -176.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -92.45 -41.66 10.17 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 172.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -114.38 159.02 20.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.06 -1.427 . . . . 0.0 108.623 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.09 -14.84 61.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.349 0.595 . . . . 0.0 109.692 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.428 ' O ' HG22 ' A' ' 54' ' ' THR . 24.8 m-20 -71.54 -24.58 61.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.941 174.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -84.63 158.9 20.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.3 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.656 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 21.6 tp -101.9 145.8 28.72 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.504 -174.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.52 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.7 tt0 -77.8 115.04 17.24 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 170.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.748 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 2.6 tm? -111.89 134.85 53.18 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -173.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.436 ' HG3' ' CD ' ' A' ' 48' ' ' ARG . 16.5 mmt180 -112.94 157.73 21.11 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.122 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -58.59 132.95 55.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.178 0.514 . . . . 0.0 110.438 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.51 30.97 78.74 Favored Glycine 0 C--N 1.319 -0.375 0 CA-C-N 115.273 -0.876 . . . . 0.0 113.249 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -93.26 150.07 20.76 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.586 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 2.4 mp -100.0 134.44 39.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -176.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.494 ' HB ' ' HZ ' ' A' ' 55' ' ' PHE . 2.8 p -111.11 128.5 67.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.646 0.736 . . . . 0.0 111.487 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -115.76 120.44 39.32 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.527 -1.215 . . . . 0.0 108.181 171.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.887 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.29 122.1 29.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 122.018 0.913 . . . . 0.0 112.653 -172.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.678 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 94.8 mmm -81.82 -41.3 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 113.559 -1.655 . . . . 0.0 109.946 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.432 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 27.3 tt0 -144.92 145.39 31.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.71 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 34.0 mtmt -105.17 127.48 52.93 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.844 -171.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.645 ' HB2' ' O ' ' A' ' 41' ' ' TRP . 69.1 m -87.21 141.8 28.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 167.062 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.19 -5.97 31.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.454 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -165.9 93.66 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.654 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.97 -72.17 0.47 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.109 -1.043 . . . . 0.0 114.562 165.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.645 ' O ' ' HB2' ' A' ' 37' ' ' CYS . 16.0 m0 -104.85 152.05 23.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.159 0.504 . . . . 0.0 111.425 -170.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.457 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 13.5 m-85 -123.84 163.36 21.4 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 163.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.887 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.5 t -90.91 152.18 3.38 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 174.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -145.16 155.16 26.35 Favored Glycine 0 C--N 1.303 -1.283 0 C-N-CA 119.863 -1.16 . . . . 0.0 113.037 -171.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.1 m -113.07 128.03 56.38 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 175.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.471 ' N ' HD21 ' A' ' 23' ' ' LEU . 30.5 t -79.0 135.32 36.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.094 0.473 . . . . 0.0 110.548 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.601 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -76.11 -8.83 57.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.546 -179.724 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.436 ' CD ' ' HG3' ' A' ' 26' ' ' ARG . 39.3 mtp180 -84.29 -79.88 0.21 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.013 0.435 . . . . 0.0 110.996 177.323 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 t -82.7 -3.03 55.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.549 -173.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm 60.05 29.65 19.2 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.593 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -97.17 166.23 11.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.773 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -115.66 109.02 17.15 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.12 -173.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.656 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -134.26 155.74 22.03 Favored Glycine 0 C--O 1.221 -0.711 0 C-N-CA 121.111 -0.566 . . . . 0.0 111.958 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 6.9 t -102.29 144.52 30.69 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 117.201 0.5 . . . . 0.0 111.049 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.494 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 49.1 p90 -161.6 162.13 21.55 Favored Pre-proline 0 C--O 1.233 0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.989 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 51.7 Cg_exo -54.35 134.16 59.74 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.661 2.241 . . . . 0.0 113.098 -177.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.41 7.03 82.86 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.356 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -113.69 26.27 10.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 122.291 1.043 . . . . 0.0 108.977 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -120.71 -1.37 10.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.404 1.097 . . . . 0.0 108.134 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.693 HG23 ' HA ' ' A' ' 11' ' ' ALA . 11.7 p -123.37 158.84 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 114.259 -1.337 . . . . 0.0 109.787 -174.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.569 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 15.2 ptmt -123.25 163.59 33.01 Favored Pre-proline 0 C--O 1.226 -0.175 0 O-C-N 122.367 -0.208 . . . . 0.0 110.495 -177.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.569 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 12.2 Cg_endo -54.6 145.55 58.38 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 123.204 2.602 . . . . 0.0 112.503 176.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.719 HD11 ' HB2' ' A' ' 8' ' ' SER . 65.2 mt -52.68 140.81 22.53 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.308 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.148 179.499 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.787 ' HB2' HD11 ' A' ' 63' ' ' LEU . 4.9 m . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 17.9 m-85 -120.82 150.67 40.67 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.038 -178.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.725 ' HB2' HD23 ' A' ' 63' ' ' LEU . 52.5 tt0 -109.55 128.94 55.56 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.15 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.615 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.89 139.39 37.13 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.34 0.591 . . . . 0.0 111.736 -171.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.84 -45.76 88.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.812 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -152.27 178.91 9.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.715 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -77.43 140.22 39.83 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.228 0.537 . . . . 0.0 111.756 -174.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.725 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 42.4 t80 -127.65 139.88 52.44 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.819 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.2 mm -106.66 131.61 21.57 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.08 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.6 Cg_exo -57.82 133.35 55.55 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.889 2.393 . . . . 0.0 112.758 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -85.5 -36.2 20.69 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 173.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -126.48 163.46 23.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.129 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.6 -5.94 56.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.297 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.466 ' O ' HG22 ' A' ' 54' ' ' THR . 3.3 p30 -86.76 -14.29 42.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.064 0.459 . . . . 0.0 109.807 172.079 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 54' ' ' THR . 30.5 mt-10 -84.75 171.52 12.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.098 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.669 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 19.5 tp -111.05 139.0 46.77 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.472 -174.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.541 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.6 tt0 -77.27 116.17 17.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 170.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.725 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -112.85 135.57 53.46 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.704 -168.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.88 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 22.6 mmt180 -116.37 159.38 22.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.812 0.339 . . . . 0.0 110.522 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -58.72 136.03 57.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.588 0.709 . . . . 0.0 111.957 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.95 26.38 68.92 Favored Glycine 0 C--N 1.323 -0.14 0 CA-C-N 114.751 -1.113 . . . . 0.0 113.212 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -90.47 149.63 22.14 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.611 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 2.2 mp -99.76 140.41 19.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -176.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.491 HG23 ' HA3' ' A' ' 44' ' ' GLY . 3.5 p -119.12 130.84 73.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.532 0.682 . . . . 0.0 111.261 177.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.617 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 10.3 m-20 -114.88 121.82 44.39 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.527 173.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.896 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -75.92 121.43 27.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 122.021 0.915 . . . . 0.0 112.476 -172.426 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.731 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 92.3 mmm -81.7 -39.11 24.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 113.825 -1.534 . . . . 0.0 109.54 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.38 155.15 38.06 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 121.501 0.667 . . . . 0.0 110.63 175.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 22.7 mtmt -106.4 132.74 52.08 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.534 -1.212 . . . . 0.0 112.192 -171.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.3 m -107.5 135.06 49.61 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 168.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.17 -19.42 64.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.969 -173.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -68.96 -15.83 63.58 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.27 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.13 17.35 16.26 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.434 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -107.18 137.62 44.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.44 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 6.8 m-85 -125.02 164.44 20.15 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.176 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.896 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.5 t -90.51 156.32 3.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 169.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.617 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -157.46 154.65 25.72 Favored Glycine 0 C--N 1.305 -1.157 0 C-N-CA 119.232 -1.461 . . . . 0.0 113.339 -172.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 9.9 m -110.79 129.35 55.87 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 173.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.462 ' CB ' HG22 ' A' ' 49' ' ' THR . 30.8 t -78.5 132.73 37.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.126 0.488 . . . . 0.0 110.79 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.621 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -77.48 -19.47 55.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.729 179.564 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.88 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 52.6 mtt-85 -87.52 -65.56 1.0 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.373 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.462 HG22 ' CB ' ' A' ' 46' ' ' SER . 7.6 t -84.39 -4.33 58.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.595 -171.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt 57.72 30.61 19.19 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.973 175.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -111.8 160.77 17.02 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 1.6 p90 -116.91 114.2 23.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.789 0.804 . . . . 0.0 109.974 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.669 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -137.35 157.92 24.17 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 114.821 -1.082 . . . . 0.0 111.945 -177.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.8 t -101.19 145.72 28.44 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 117.341 0.571 . . . . 0.0 110.198 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.493 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 53.1 p90 -163.42 166.93 12.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.493 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 32.1 Cg_exo -56.23 133.36 57.54 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.388 2.059 . . . . 0.0 112.821 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.23 -6.66 81.15 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.725 176.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -94.68 26.45 3.5 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.456 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 7.0 t80 -129.88 -5.5 4.53 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.954 0.883 . . . . 0.0 109.116 -177.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.59 HG23 ' HA ' ' A' ' 11' ' ' ALA . 10.9 p -120.61 157.8 23.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.084 -0.962 . . . . 0.0 108.944 -176.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.437 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 9.7 ptmm? -124.15 158.79 59.56 Favored Pre-proline 0 C--N 1.33 -0.28 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.966 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 9.8 Cg_endo -51.8 143.16 39.55 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 123.322 2.681 . . . . 0.0 112.332 175.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.787 HD11 ' HB2' ' A' ' 8' ' ' SER . 70.5 mt -52.96 141.68 21.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.831 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.2 t80 . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.996 173.827 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.614 ' HB2' HD11 ' A' ' 63' ' ' LEU . 5.1 m . . . . . 0 N--CA 1.446 -0.656 0 CA-C-O 120.952 0.406 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.576 ' HB3' HG22 ' A' ' 60' ' ' VAL . 25.4 m-85 -127.98 154.43 45.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.778 -179.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.688 ' HB2' HD23 ' A' ' 63' ' ' LEU . 35.5 tt0 -110.06 129.99 55.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.688 ' HA ' HG23 ' A' ' 60' ' ' VAL . . . -80.36 139.08 36.72 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.383 0.611 . . . . 0.0 112.373 -169.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.509 ' CD2' ' HD2' ' A' ' 61' ' ' LYS . 15.2 mt -74.19 -33.59 63.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.379 -177.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -139.2 168.33 20.06 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -177.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.3 p -87.57 134.79 33.57 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 123.462 0.476 . . . . 0.0 110.401 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.681 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 21.6 t80 -110.21 133.88 52.79 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -176.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.7 mm -107.91 128.06 26.5 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.617 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 31.5 Cg_exo -55.49 133.07 55.94 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.859 2.373 . . . . 0.0 112.775 -176.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -106.83 -32.09 8.09 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -114.88 161.44 18.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.772 -1.103 . . . . 0.0 109.545 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.56 -17.64 61.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.713 -173.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -101.02 3.87 41.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.929 0.395 . . . . 0.0 111.011 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -87.2 171.4 10.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.063 0.458 . . . . 0.0 110.553 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.635 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 16.3 tp -111.49 141.04 45.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.404 -170.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.617 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 5.2 tt0 -81.54 114.7 20.44 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 169.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.681 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 2.8 tm? -120.05 135.07 55.07 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.901 -165.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.947 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 18.4 tpt180 -100.49 154.21 18.73 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -64.06 139.38 58.76 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.57 28.6 72.73 Favored Glycine 0 C--N 1.316 -0.564 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.002 -176.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.529 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 28.7 t0 -95.45 151.74 19.02 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.535 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.2 mp -99.2 133.21 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.83 0.348 . . . . 0.0 110.192 -175.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.55 146.74 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.417 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.609 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 4.0 m-20 -128.21 131.0 48.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.887 175.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.924 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.75 121.14 28.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 122.127 0.965 . . . . 0.0 112.33 -176.027 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.604 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 18.6 mmt -88.01 -36.57 16.94 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 114.106 -1.406 . . . . 0.0 110.487 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -146.88 145.22 29.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -106.49 133.24 51.48 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.605 -173.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.3 t -85.98 148.39 25.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.321 0.582 . . . . 0.0 109.856 170.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.69 -24.29 66.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.549 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -173.37 78.99 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.025 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.43 -87.24 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.183 -1.008 . . . . 0.0 112.479 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -133.72 173.21 11.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.043 0.449 . . . . 0.0 111.485 -175.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.465 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 13.5 m-85 -117.83 164.16 15.44 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 169.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.924 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.5 t -89.78 155.78 3.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 174.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.609 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -149.7 155.98 26.54 Favored Glycine 0 C--N 1.303 -1.253 0 C-N-CA 119.868 -1.158 . . . . 0.0 113.408 -168.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.1 m -117.4 127.42 54.02 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.3 t -88.26 139.93 30.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.954 0.407 . . . . 0.0 111.333 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.529 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . 4.4 mpt_? -71.02 -9.11 57.47 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.257 177.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.947 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 48.7 mtp180 -72.15 -63.56 1.12 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.117 0.484 . . . . 0.0 111.544 -174.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.576 HG23 ' HG2' ' A' ' 51' ' ' GLN . 9.4 t -123.19 14.04 9.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.614 0.721 . . . . 0.0 110.281 -177.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 51.18 38.25 20.57 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.009 -0.996 . . . . 0.0 112.835 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.59 ' HG3' ' CD1' ' A' ' 23' ' ' LEU . 4.1 pt20 -95.97 166.25 11.87 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -115.37 107.8 15.69 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.273 -171.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.635 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -134.08 153.26 20.86 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.794 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 11.9 t -101.91 146.39 27.91 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 117.165 0.482 . . . . 0.0 110.74 -176.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.473 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 50.6 p90 -165.1 162.13 14.31 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.372 175.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 57.0 Cg_exo -51.54 134.68 46.76 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.957 2.438 . . . . 0.0 113.597 -175.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.43 -9.52 75.62 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.559 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -98.91 21.65 11.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.647 0.737 . . . . 0.0 109.697 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -116.01 -6.72 11.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.757 -1.11 . . . . 0.0 108.625 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.688 HG23 ' HA ' ' A' ' 11' ' ' ALA . 12.0 p -122.49 156.28 27.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.229 -176.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.702 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 17.9 ptmt -125.68 164.08 34.97 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.774 0.321 . . . . 0.0 111.183 -174.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.702 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 18.1 Cg_endo -57.69 141.53 95.56 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 123.347 2.698 . . . . 0.0 112.668 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.688 HD23 ' HB2' ' A' ' 10' ' ' GLN . 64.6 mt -55.57 152.11 9.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.299 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 . . . . . 0 C--O 1.247 0.922 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.251 175.921 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.593 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 7.5 m-85 -127.4 155.04 44.26 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.714 -176.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.544 ' HB2' HD23 ' A' ' 63' ' ' LEU . 52.1 tt0 -110.38 132.89 53.78 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.629 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.7 138.69 37.41 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.453 0.644 . . . . 0.0 111.493 -171.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -74.74 -32.51 62.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.67 -175.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.438 ' HB2' ' OH ' ' A' ' 59' ' ' TYR . 67.5 m-85 -141.09 177.99 7.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.39 -176.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 m -86.06 135.01 33.79 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.672 170.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.719 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 34.2 t80 -123.42 132.22 53.88 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.871 -176.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.9 mm -103.73 131.6 21.85 Favored Pre-proline 0 C--N 1.312 -1.062 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.899 -176.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 36.8 Cg_exo -55.25 131.78 48.35 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.979 2.452 . . . . 0.0 112.814 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -90.05 -37.98 13.9 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.041 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.441 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 5.1 m-20 -115.15 166.17 12.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.137 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -71.57 -18.67 62.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.057 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -83.96 -12.47 55.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.003 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.54 ' HA ' ' O ' ' A' ' 54' ' ' THR . 72.2 mt-10 -84.47 166.72 17.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.625 0.726 . . . . 0.0 111.949 -174.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.7 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 22.3 tp -107.35 142.38 37.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.315 -174.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.539 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 4.0 tt0 -78.87 116.67 19.35 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.037 174.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.719 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -113.18 135.57 53.67 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.704 -169.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.534 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 22.7 mmt180 -117.96 157.61 26.42 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 177.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -55.04 138.79 43.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.028 0.442 . . . . 0.0 111.019 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.37 34.84 89.11 Favored Glycine 0 C--N 1.32 -0.325 0 CA-C-N 115.336 -0.847 . . . . 0.0 113.601 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.534 ' HB2' ' O ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -98.5 155.99 17.0 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 175.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.593 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -104.51 135.98 39.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 p -110.65 128.99 66.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.606 0.717 . . . . 0.0 111.31 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.416 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 9.0 m-20 -120.46 116.49 25.55 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.339 -1.301 . . . . 0.0 108.108 173.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.931 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.8 124.24 34.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.884 0.85 . . . . 0.0 112.261 -172.172 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.601 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 95.7 mmm -87.77 -35.37 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.181 178.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.528 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 12.1 tp10 -148.58 144.46 27.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.68 177.233 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -107.33 108.06 19.27 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.933 -176.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.6 m -85.65 122.16 29.36 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.92 -5.82 6.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.78 -176.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -86.19 3.8 41.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.058 0.456 . . . . 0.0 110.781 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.96 4.76 31.3 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.722 -0.752 . . . . 0.0 113.637 173.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.417 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 21.1 m95 -114.52 138.48 50.57 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -177.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.42 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 6.0 m-85 -116.27 160.53 20.32 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 168.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.931 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.0 t -90.91 155.89 3.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 176.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -149.57 154.28 25.65 Favored Glycine 0 C--N 1.301 -1.392 0 C-N-CA 120.185 -1.007 . . . . 0.0 112.159 -173.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.1 m -110.91 129.8 55.77 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.4 t -78.27 128.51 33.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.961 0.41 . . . . 0.0 110.967 -177.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.564 ' HD3' ' O ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -80.37 16.86 1.18 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.905 177.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 48' ' ' ARG . 52.9 mtp180 -103.5 -67.92 0.86 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.679 176.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.0 t -111.22 14.49 21.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.797 -171.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt 58.51 31.88 21.51 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -103.62 164.82 11.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.907 0.384 . . . . 0.0 111.071 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -117.78 112.9 21.03 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.343 -173.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.7 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.02 152.5 21.09 Favored Glycine 0 C--O 1.223 -0.547 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.889 178.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 8.9 t -102.07 143.81 31.44 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 117.494 0.647 . . . . 0.0 110.406 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.42 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 45.4 p90 -158.92 163.99 22.41 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.083 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 32.5 Cg_exo -56.92 133.26 56.79 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.496 2.13 . . . . 0.0 112.601 -177.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.412 ' HA3' ' CE2' ' A' ' 42' ' ' PHE . . . -92.89 12.26 70.3 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.972 -0.633 . . . . 0.0 112.816 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -107.3 14.22 26.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.293 0.568 . . . . 0.0 110.245 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.438 ' OH ' ' HB2' ' A' ' 13' ' ' TYR . 11.4 t80 -115.47 -3.42 12.39 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 122.001 0.905 . . . . 0.0 109.569 -175.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.584 HG23 ' HA ' ' A' ' 11' ' ' ALA . 11.3 p -119.75 158.63 21.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.694 -173.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.449 ' HE2' ' HB2' ' A' ' 61' ' ' LYS . 2.7 ptmm? -123.63 150.91 62.8 Favored Pre-proline 0 C--O 1.224 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 111.122 -177.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.81 146.18 79.64 Favored 'Trans proline' 0 N--CA 1.478 0.588 0 C-N-CA 123.939 3.093 . . . . 0.0 113.508 -177.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.544 HD23 ' HB2' ' A' ' 10' ' ' GLN . 74.6 mt -64.19 160.31 18.76 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.252 176.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.614 -0.708 . . . . 0.0 111.41 178.782 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.446 ' HB2' HD11 ' A' ' 63' ' ' LEU . 3.4 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.585 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 8.7 m-85 -128.64 155.07 45.58 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -177.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.687 ' HB2' HD23 ' A' ' 63' ' ' LEU . 33.7 tt0 -111.26 130.22 55.73 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.62 ' HA ' HG23 ' A' ' 60' ' ' VAL . . . -79.74 140.33 36.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.482 0.658 . . . . 0.0 111.826 -171.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.676 HD21 ' HD3' ' A' ' 61' ' ' LYS . 13.7 mt -74.78 -32.58 62.07 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.118 -176.042 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -143.23 173.82 11.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.289 -176.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 m -82.81 148.01 28.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.082 0.468 . . . . 0.0 110.859 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.732 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 49.1 t80 -136.89 131.78 33.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.666 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.4 mm -104.55 132.6 20.78 Favored Pre-proline 0 C--N 1.312 -1.05 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.882 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.566 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 39.3 Cg_exo -56.86 132.9 54.51 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.59 2.194 . . . . 0.0 112.256 -177.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -89.52 -36.49 15.33 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -116.31 160.04 21.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.89 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.56 -14.6 61.67 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.368 -177.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.21 -12.73 54.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.176 0.512 . . . . 0.0 110.122 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 54' ' ' THR . 19.5 mt-10 -84.75 171.34 12.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.678 176.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.757 HD11 ' HB2' ' A' ' 46' ' ' SER . 17.4 tp -118.93 148.05 43.36 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.774 -174.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.566 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.6 tt0 -77.38 131.53 38.09 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.732 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.3 tm? -125.37 132.32 52.82 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.161 -172.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.702 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 7.1 tpt180 -111.53 158.85 18.7 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 26' ' ' ARG . 6.2 p-10 -58.31 131.22 50.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.363 0.601 . . . . 0.0 110.034 172.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.65 28.35 71.07 Favored Glycine 0 C--N 1.315 -0.605 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.881 -177.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.702 ' HB2' ' O ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER -91.66 157.51 16.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.875 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.585 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -107.17 147.16 12.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -176.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 9' ' ' TYR . 2.6 p -108.73 127.48 65.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.651 0.739 . . . . 0.0 111.365 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.739 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 17.5 t70 -117.52 109.34 16.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.347 -1.297 . . . . 0.0 108.241 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.925 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -85.07 121.61 37.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 122.047 0.927 . . . . 0.0 112.557 -172.412 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.551 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 76.1 mtm -84.55 -36.72 21.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.368 178.089 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 43' ' ' VAL . 10.4 tp10 -148.35 140.05 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.733 ' HD2' ' H ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -107.57 125.63 51.54 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.994 -173.814 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 41' ' ' TRP . 77.8 m -82.34 144.09 30.81 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 168.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -70.77 -8.39 51.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -141.22 70.15 1.34 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.102 0.477 . . . . 0.0 112.188 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.52 -56.22 0.49 Allowed Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.128 -1.034 . . . . 0.0 115.365 162.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.476 ' O ' ' HB2' ' A' ' 37' ' ' CYS . 47.9 m95 -88.17 135.77 33.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.903 0.382 . . . . 0.0 111.985 -169.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.498 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 8.3 m-85 -123.13 160.09 27.19 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 166.126 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.925 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.8 t -91.43 160.32 2.71 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.868 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 176.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.739 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -153.58 155.75 26.35 Favored Glycine 0 C--N 1.308 -1.015 0 C-N-CA 119.776 -1.202 . . . . 0.0 113.4 -172.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 m -109.94 135.77 50.28 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 172.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.757 ' HB2' HD11 ' A' ' 23' ' ' LEU . 23.7 t -78.2 126.72 31.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.443 0.64 . . . . 0.0 110.962 -175.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.572 HH21 ' CG ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -60.73 -32.35 71.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.83 -179.497 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 48' ' ' ARG . 48.2 mtm180 -93.61 -65.48 0.99 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.854 -172.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.2 t -88.29 0.63 55.93 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -171.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 57.2 33.32 23.14 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.174 0.511 . . . . 0.0 111.94 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -98.39 165.61 11.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.516 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.414 ' HB3' ' HE1' ' A' ' 34' ' ' MET . 46.1 m-85 -116.56 102.74 9.73 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.207 -175.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.599 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.58 152.26 20.88 Favored Glycine 0 C--O 1.222 -0.638 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.86 -175.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.585 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 14.7 t -101.65 147.56 26.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 117.059 0.43 . . . . 0.0 110.371 178.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.441 ' HE1' HD23 ' A' ' 23' ' ' LEU . 34.9 p90 -159.69 158.33 27.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.745 0.307 . . . . 0.0 110.506 177.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -61.99 133.84 46.52 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.9 2.4 . . . . 0.0 112.722 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.463 ' HA3' ' CE2' ' A' ' 42' ' ' PHE . . . -93.61 12.61 69.18 Favored Glycine 0 C--O 1.227 -0.291 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.358 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -105.3 14.4 28.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.374 0.607 . . . . 0.0 110.14 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -114.91 -4.36 12.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.194 0.997 . . . . 0.0 108.849 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.62 HG23 ' HA ' ' A' ' 11' ' ' ALA . 10.4 p -121.12 156.22 24.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.247 -171.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.676 ' HD3' HD21 ' A' ' 12' ' ' LEU . 25.4 mtpp -117.65 155.05 50.95 Favored Pre-proline 0 C--N 1.328 -0.361 0 C-N-CA 122.094 0.158 . . . . 0.0 110.853 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -51.78 144.25 35.5 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 123.47 2.78 . . . . 0.0 112.29 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.687 HD23 ' HB2' ' A' ' 10' ' ' GLN . 77.9 mt -50.48 126.85 16.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.489 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.865 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.54 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.62 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 32.2 m-85 -125.64 152.5 45.11 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -177.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.444 ' HB2' HD23 ' A' ' 63' ' ' LEU . 12.2 tt0 -109.37 131.13 55.35 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.626 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.9 135.35 36.41 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.283 0.563 . . . . 0.0 111.233 -174.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 61' ' ' LYS . 17.4 mt -66.04 -39.05 89.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.596 -1.184 . . . . 0.0 111.959 -173.127 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -149.88 170.22 19.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.525 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.542 ' HB3' ' H ' ' A' ' 27' ' ' ASP . 52.2 p -83.58 146.99 28.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.596 -176.36 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.643 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 63.3 t80 -137.29 141.52 41.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.071 -175.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 49.4 mm -108.87 127.67 26.9 Favored Pre-proline 0 C--N 1.319 -0.747 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.561 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 44.6 Cg_exo -54.6 133.31 56.2 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 123.309 2.673 . . . . 0.0 112.884 -176.133 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -98.84 -30.97 12.1 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 175.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.544 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 52.2 m-80 -115.17 155.97 26.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.154 173.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -71.04 -21.42 62.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.377 0.608 . . . . 0.0 110.499 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -71.57 -20.44 62.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.669 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.544 ' HG3' ' HB2' ' A' ' 19' ' ' ASN . 90.5 mt-10 -84.92 154.51 22.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.473 0.654 . . . . 0.0 111.141 -175.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.649 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 17.5 tp -94.34 144.56 25.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.256 -175.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.561 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 5.9 tt0 -77.39 116.74 18.23 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 173.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.643 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 0.9 OUTLIER -106.97 130.71 54.57 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.218 -170.199 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.52 ' HG2' ' CZ ' ' A' ' 48' ' ' ARG . 16.0 mmt180 -115.32 146.1 41.85 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 173.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.542 ' H ' ' HB3' ' A' ' 14' ' ' SER . 7.5 p-10 -56.02 126.28 25.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.473 0.654 . . . . 0.0 111.115 -176.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.434 ' HA2' ' HG2' ' A' ' 10' ' ' GLN . . . 85.91 29.12 26.91 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 114.976 -1.011 . . . . 0.0 113.111 -176.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.484 ' OD2' ' HD3' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -85.96 147.88 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.724 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.62 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.6 mp -104.35 137.07 34.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 p -109.72 136.56 45.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.741 0.782 . . . . 0.0 112.169 -173.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.689 ' HB3' HH12 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -125.45 119.13 27.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.246 -1.343 . . . . 0.0 108.051 174.077 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.93 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -79.86 121.95 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 122.15 0.976 . . . . 0.0 112.77 -173.158 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.665 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 21.3 mmt -83.44 -40.84 18.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 113.866 -1.515 . . . . 0.0 110.275 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 43' ' ' VAL . 30.6 tt0 -147.81 141.44 25.55 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 37.9 mtmt -100.66 127.28 47.12 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 -176.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.0 m -93.51 132.85 37.4 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 169.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.53 -17.67 55.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.897 -172.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.6 -22.5 60.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.06 7.68 9.21 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.31 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -101.76 139.32 37.57 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.459 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 5.4 m-85 -124.02 164.81 18.6 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.796 176.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.93 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.2 t -90.2 152.61 3.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 172.074 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.605 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -145.6 153.5 25.33 Favored Glycine 0 C--N 1.302 -1.343 0 C-N-CA 119.99 -1.1 . . . . 0.0 112.891 -171.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m -114.01 127.91 56.16 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.0 t -78.84 133.79 36.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.001 0.429 . . . . 0.0 111.029 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.689 HH12 ' HB3' ' A' ' 32' ' ' ASP . 4.5 mpt_? -67.45 -13.14 61.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.93 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.52 ' CZ ' ' HG2' ' A' ' 26' ' ' ARG . 13.3 mtp180 -84.53 -81.15 0.19 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.24 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 t -86.05 -0.94 56.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.648 -173.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt 60.43 29.11 18.75 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.555 178.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.415 ' HA ' ' OE1' ' A' ' 51' ' ' GLN . 13.2 mm-40 -90.54 162.49 15.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.411 178.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -115.95 107.84 15.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.846 -174.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.649 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.01 151.51 20.47 Favored Glycine 0 C--O 1.222 -0.647 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.994 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.0 t -101.42 144.39 30.28 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 117.337 0.569 . . . . 0.0 110.462 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.419 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 48.5 p90 -159.09 163.4 24.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.008 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 35.9 Cg_exo -56.09 134.26 63.05 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.561 2.174 . . . . 0.0 112.611 -178.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.91 -18.36 65.53 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.705 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -91.67 40.6 1.04 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.28 1.038 . . . . 0.0 108.607 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -136.15 -6.64 2.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.352 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.596 HG23 ' HA ' ' A' ' 11' ' ' ALA . 9.2 p -121.57 159.84 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.557 -173.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.466 ' HE3' ' HB2' ' A' ' 61' ' ' LYS . 11.1 ptmt -120.54 150.4 52.11 Favored Pre-proline 0 C--N 1.331 -0.231 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.949 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -60.82 146.89 96.77 Favored 'Trans proline' 0 N--CA 1.473 0.278 0 C-N-CA 123.579 2.853 . . . . 0.0 112.452 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 10' ' ' GLN . 81.1 mt -60.98 126.87 28.95 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.299 175.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 p90 . . . . . 0 C--O 1.247 0.968 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.144 -175.365 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.421 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 4.1 m . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.607 ' HB3' HG22 ' A' ' 60' ' ' VAL . 25.3 m-85 -126.21 155.0 42.51 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.458 -175.085 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.686 ' HB2' HD23 ' A' ' 63' ' ' LEU . 32.9 tt0 -109.8 128.67 55.46 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.653 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -80.31 134.73 36.09 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.473 0.654 . . . . 0.0 111.302 -173.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.75 -41.55 99.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.468 -173.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -150.82 177.14 10.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.295 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 m -77.55 150.11 34.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.099 0.476 . . . . 0.0 111.885 -174.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.643 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 70.9 t80 -131.45 138.52 49.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.543 -177.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.446 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 49.8 mm -111.07 126.7 28.16 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.569 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 17.5 Cg_exo -63.48 131.85 33.39 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.546 2.164 . . . . 0.0 112.215 -177.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -84.54 -42.24 15.69 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 173.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -115.75 153.56 31.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.073 171.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.14 -3.35 22.77 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.401 ' O ' HG22 ' A' ' 54' ' ' THR . 15.8 m-20 -77.38 -24.7 50.53 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 170.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 54' ' ' THR . 50.7 mt-10 -84.07 157.04 21.9 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.662 177.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.606 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 17.0 tp -98.86 139.35 34.67 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.695 -171.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.569 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 4.6 tt0 -78.31 115.68 18.2 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 172.092 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.653 HD11 ' CB ' ' A' ' 11' ' ' ALA . 1.5 tm? -113.02 134.38 54.54 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.935 -168.182 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.536 ' N ' HD13 ' A' ' 25' ' ' LEU . 9.7 tpt180 -111.91 143.82 42.26 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 172.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -49.39 128.68 17.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.763 0.792 . . . . 0.0 111.616 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.45 25.3 59.22 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 114.641 -1.163 . . . . 0.0 113.392 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -78.78 149.24 32.68 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.138 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.575 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -104.63 132.01 52.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.1 p -109.52 131.64 59.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.765 0.793 . . . . 0.0 111.671 -175.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.501 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 34.7 t70 -115.85 112.28 21.7 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 113.905 -1.498 . . . . 0.0 107.877 173.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.86 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.59 125.16 36.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 122.016 0.912 . . . . 0.0 112.329 -171.386 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.458 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 94.5 mmm -88.28 -27.74 21.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.551 -177.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -160.86 147.27 15.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.056 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -97.3 118.21 33.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.047 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.4 m -91.08 129.2 37.11 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.41 -22.43 61.42 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.152 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -64.57 -21.36 66.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.251 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.15 4.72 15.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.046 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.452 ' CE3' ' HA ' ' A' ' 55' ' ' PHE . 12.3 m0 -105.36 155.01 19.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.423 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 14.3 m-85 -117.97 159.97 22.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 167.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.86 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 4.4 t -91.48 158.62 2.87 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 173.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.501 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -162.52 155.94 27.42 Favored Glycine 0 C--N 1.304 -1.246 0 C-N-CA 119.964 -1.112 . . . . 0.0 112.664 -171.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.7 m -109.91 132.46 54.13 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.37 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.564 ' OG ' ' HG2' ' A' ' 48' ' ' ARG . 46.0 t -78.04 140.62 39.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.062 -174.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.566 ' HD2' ' HB ' ' A' ' 30' ' ' ILE . 3.9 mmp_? -75.85 -33.51 60.03 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.676 0.751 . . . . 0.0 110.492 -177.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.564 ' HG2' ' OG ' ' A' ' 46' ' ' SER . 3.5 ptm180 -76.18 -46.73 27.11 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.486 -1.233 . . . . 0.0 112.582 -174.344 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.443 ' N ' ' HG3' ' A' ' 48' ' ' ARG . 10.4 t -121.19 4.56 10.33 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -170.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 50.83 30.16 4.92 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -82.95 160.59 22.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -115.83 101.3 8.68 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.606 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -134.24 149.73 19.85 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.846 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.695 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 5.3 t -101.09 143.33 31.33 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.849 0.357 . . . . 0.0 110.08 178.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.484 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 49.9 p90 -157.87 166.72 15.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.484 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 51.1 Cg_exo -54.29 132.54 51.21 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.289 1.993 . . . . 0.0 112.407 -178.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.7 -11.5 77.05 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.354 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -99.02 22.49 10.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.818 0.818 . . . . 0.0 109.68 177.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.421 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 3.0 t80 -113.29 -7.13 13.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.505 -1.225 . . . . 0.0 108.539 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.607 HG22 ' HB3' ' A' ' 9' ' ' TYR . 10.3 p -121.26 154.53 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.286 -175.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.449 ' HE3' ' HB2' ' A' ' 61' ' ' LYS . 11.7 ptmt -122.71 150.29 58.02 Favored Pre-proline 0 C--N 1.328 -0.346 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.415 -176.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.18 141.83 47.44 Favored 'Trans proline' 0 N--CA 1.477 0.506 0 C-N-CA 123.952 3.101 . . . . 0.0 113.781 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.686 HD23 ' HB2' ' A' ' 10' ' ' GLN . 58.3 mt -58.51 149.52 25.15 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.239 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 . . . . . 0 C--O 1.249 1.043 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.198 -176.632 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.787 ' HB2' HD11 ' A' ' 63' ' ' LEU . 5.5 m . . . . . 0 N--CA 1.444 -0.735 0 CA-C-O 121.012 0.434 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.506 ' HB3' HG22 ' A' ' 60' ' ' VAL . 5.9 m-85 -122.05 151.84 40.43 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.54 ' HB2' HD23 ' A' ' 63' ' ' LEU . 25.9 tt0 -109.1 131.2 55.29 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.602 ' HA ' HG23 ' A' ' 60' ' ' VAL . . . -79.64 139.2 37.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.472 0.653 . . . . 0.0 111.37 -172.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -64.62 -40.2 95.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.168 -173.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CZ ' ' HE2' ' A' ' 59' ' ' TYR . 36.2 p90 -151.74 -179.91 7.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.311 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.9 p -83.76 143.21 30.14 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 123.384 0.427 . . . . 0.0 111.603 -175.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.732 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 74.3 t80 -129.25 142.32 50.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.638 -175.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 50.4 mm -110.55 129.02 24.4 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.299 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.516 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 32.4 Cg_exo -58.73 134.98 64.13 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.465 2.777 . . . . 0.0 113.205 -177.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -88.67 -37.17 15.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 172.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -120.07 167.36 12.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.621 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -79.9 -5.86 56.34 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.33 -33.75 71.86 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.374 169.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.515 ' HA ' ' O ' ' A' ' 54' ' ' THR . 87.8 mt-10 -84.88 162.32 19.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.133 -171.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.666 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 20.4 tp -103.54 145.09 30.53 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.494 -1.23 . . . . 0.0 110.099 -175.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.516 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 7.2 tt0 -81.21 115.29 20.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 172.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.732 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -113.19 135.15 54.13 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.12 -165.282 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.77 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 22.0 tpt180 -106.9 156.46 18.68 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -59.57 137.23 58.09 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.219 173.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.417 ' HA2' ' HG2' ' A' ' 10' ' ' GLN . . . 64.85 28.11 72.98 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.879 -178.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -95.94 149.16 21.87 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.626 ' CG2' ' HB3' ' A' ' 8' ' ' SER . 2.5 mp -100.31 133.03 44.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 120.935 0.397 . . . . 0.0 110.72 -173.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.803 HG23 ' HA3' ' A' ' 44' ' ' GLY . 3.7 p -111.63 132.84 59.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.537 0.684 . . . . 0.0 111.191 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.611 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 4.1 m-20 -121.59 117.11 25.93 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.402 -1.272 . . . . 0.0 108.392 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.876 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -75.92 119.92 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.857 0.836 . . . . 0.0 112.442 -170.292 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 24.2 mmt -91.27 -32.1 15.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.574 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.559 ' O ' HG23 ' A' ' 43' ' ' VAL . 28.7 tt0 -146.03 146.74 31.08 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 37.0 mtmt -114.15 132.65 56.0 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -173.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 62.6 m -77.16 134.87 38.55 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 161.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.46 -25.13 34.82 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.617 0.573 . . . . 0.0 111.959 -169.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -160.56 81.36 0.67 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.867 0.365 . . . . 0.0 110.43 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.95 -94.57 0.11 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.394 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.435 ' HE3' ' HA ' ' A' ' 56' ' ' PRO . 0.6 OUTLIER -106.84 162.03 14.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.937 0.399 . . . . 0.0 110.914 -171.296 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.56 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 9.4 m-85 -128.2 169.34 14.26 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 174.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.876 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 5.9 t -90.4 169.53 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 175.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.803 ' HA3' HG23 ' A' ' 31' ' ' VAL . . . -162.22 155.46 26.75 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 119.957 -1.116 . . . . 0.0 112.684 -176.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.4 m -110.85 127.1 55.29 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.513 ' HB2' HD21 ' A' ' 23' ' ' LEU . 44.4 t -78.87 133.51 36.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.938 0.399 . . . . 0.0 110.809 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.627 HH11 ' HG3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -77.14 4.51 10.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.678 177.828 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.77 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 65.8 mtp180 -85.35 -70.14 0.61 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.825 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -113.12 12.87 19.22 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.951 -174.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt 53.19 35.87 21.04 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.479 ' HA ' ' OE1' ' A' ' 51' ' ' GLN . 13.6 mm-40 -98.37 164.75 12.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.194 175.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -115.91 108.68 16.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.631 -172.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.666 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.56 154.57 21.8 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.787 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.4 t -101.94 151.42 22.13 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 117.063 0.432 . . . . 0.0 110.545 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.612 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 49.5 p90 -164.86 168.47 8.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 176.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.557 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 69.0 Cg_exo -50.96 134.07 41.65 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.531 2.154 . . . . 0.0 113.738 -175.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.76 -11.04 66.3 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.412 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -94.23 17.81 12.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.671 0.748 . . . . 0.0 109.231 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.546 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 7.6 t80 -120.34 -6.44 9.84 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.228 -173.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.602 HG23 ' HA ' ' A' ' 11' ' ' ALA . 9.1 p -123.8 154.04 30.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.746 -176.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.465 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 10.0 ptmm? -123.61 158.37 59.44 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 120.423 0.154 . . . . 0.0 110.639 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 11.4 Cg_endo -52.74 150.97 20.76 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.304 2.669 . . . . 0.0 112.314 177.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.787 HD11 ' HB2' ' A' ' 8' ' ' SER . 60.9 mt -61.62 161.78 9.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.441 0.638 . . . . 0.0 112.286 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.9 p90 . . . . . 0 C--O 1.248 1.0 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.425 -177.414 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.536 ' HB2' HD11 ' A' ' 63' ' ' LEU . 7.6 m . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.544 ' HB3' HG22 ' A' ' 60' ' ' VAL . 20.3 m-85 -116.66 151.72 35.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.554 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.72 ' HB2' HD23 ' A' ' 63' ' ' LEU . 42.5 tt0 -110.07 128.99 55.75 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 174.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.675 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.62 139.85 37.31 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.449 0.642 . . . . 0.0 111.346 -173.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.564 HD21 ' HD3' ' A' ' 61' ' ' LYS . 13.1 mt -70.34 -37.32 74.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.946 -175.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.495 ' CZ ' ' HE2' ' A' ' 59' ' ' TYR . 46.2 p90 -151.93 -178.83 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.296 178.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.405 ' HB3' ' H ' ' A' ' 27' ' ' ASP . 59.3 p -86.72 140.34 29.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.023 0.44 . . . . 0.0 111.463 -176.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.719 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 60.4 t80 -125.23 139.99 53.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.08 -177.086 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.42 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 42.0 mm -110.36 129.87 23.48 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.07 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.57 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.4 Cg_exo -54.63 133.83 59.03 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.386 2.724 . . . . 0.0 113.23 -175.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -92.24 -34.28 14.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -114.9 160.88 19.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.466 173.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -75.62 -15.47 60.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.079 0.466 . . . . 0.0 110.755 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.86 -13.0 58.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.628 0.728 . . . . 0.0 109.561 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -84.61 172.03 11.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.08 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.646 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 21.6 tp -111.73 142.35 44.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.164 -172.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.57 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.9 tt0 -79.95 116.39 20.07 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 172.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.719 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.1 tm? -113.66 135.25 54.13 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.23 -168.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.662 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 21.1 tpt180 -106.15 155.6 19.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.8 0.333 . . . . 0.0 110.48 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.405 ' H ' ' HB3' ' A' ' 14' ' ' SER . 5.7 p-10 -63.47 134.01 54.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.071 0.462 . . . . 0.0 110.865 174.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.73 33.12 85.91 Favored Glycine 0 N--CA 1.453 -0.201 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.572 -176.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -97.98 141.93 30.33 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 177.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.814 ' HB ' ' HD3' ' A' ' 47' ' ' ARG . 2.6 mp -99.25 127.6 51.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.044 0.449 . . . . 0.0 110.229 -176.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.421 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 7.3 p -119.9 144.04 29.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.233 0.54 . . . . 0.0 111.851 -175.355 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.574 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 28.6 m-20 -114.14 126.91 55.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.15 173.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.89 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -77.06 123.86 34.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 121.717 0.77 . . . . 0.0 111.467 178.577 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.587 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 21.8 mmt -83.72 -36.95 23.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.355 -1.293 . . . . 0.0 110.404 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 43' ' ' VAL . 30.8 tt0 -148.96 141.21 24.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.607 176.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.498 ' HG2' HG21 ' A' ' 33' ' ' VAL . 43.1 mtmt -101.55 131.93 47.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.006 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.532 ' HB2' ' HD1' ' A' ' 41' ' ' TRP . 37.4 m -97.36 134.88 40.04 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 171.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -56.88 -31.31 64.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.84 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -56.65 -51.22 69.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.443 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.17 -8.59 0.32 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 119.683 -1.246 . . . . 0.0 114.18 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.712 ' HB3' ' HA ' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -106.38 149.33 27.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.188 0.994 . . . . 0.0 110.745 -179.534 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.498 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 10.6 m-85 -122.62 171.15 9.34 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -177.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.89 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.2 t -90.68 164.33 2.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 172.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.574 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -159.7 156.43 27.61 Favored Glycine 0 C--N 1.31 -0.864 0 C-N-CA 119.466 -1.35 . . . . 0.0 113.763 -171.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -120.95 127.63 51.99 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 173.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.44 ' N ' HD21 ' A' ' 23' ' ' LEU . 47.3 t -85.1 140.76 30.72 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 110.749 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.814 ' HD3' ' HB ' ' A' ' 30' ' ' ILE . 7.6 mtm180 -68.86 -17.2 63.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.394 -178.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.662 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 57.0 mtp180 -78.05 -83.62 0.08 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.009 -173.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.8 t -92.28 11.36 26.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.174 -171.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt 55.54 36.21 26.7 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.405 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -96.36 161.48 13.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -116.6 105.05 12.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.657 -177.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.646 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.18 154.72 21.73 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.398 -177.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.3 t -101.37 150.46 22.99 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 117.133 0.466 . . . . 0.0 110.249 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.513 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 52.3 p90 -165.48 166.29 10.47 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.712 ' HA ' ' HB3' ' A' ' 41' ' ' TRP . 52.9 Cg_exo -52.36 134.23 50.85 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.661 2.241 . . . . 0.0 113.085 -178.283 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.537 ' H ' ' HA ' ' A' ' 41' ' ' TRP . . . -94.3 -2.84 63.63 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.928 -179.123 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -101.1 23.98 10.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 122.423 1.106 . . . . 0.0 108.204 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.53 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 5.8 t80 -119.09 -16.69 9.11 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.148 -178.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.629 HG23 ' HA ' ' A' ' 11' ' ' ALA . 10.7 p -119.89 150.33 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.019 -177.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.564 ' HD3' HD21 ' A' ' 12' ' ' LEU . 41.4 mtpt -120.83 156.45 56.38 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -174.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 61' ' ' LYS . 16.1 Cg_endo -54.1 148.29 40.36 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 124.061 3.174 . . . . 0.0 112.855 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.72 HD23 ' HB2' ' A' ' 10' ' ' GLN . 79.6 mt -61.75 128.61 37.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.207 176.243 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 p90 . . . . . 0 N--CA 1.436 -1.14 0 CA-C-O 118.537 -0.744 . . . . 0.0 110.832 -179.284 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.423 ' HB2' HD11 ' A' ' 63' ' ' LEU . 6.2 m . . . . . 0 N--CA 1.449 -0.522 0 CA-C-O 120.916 0.388 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.531 ' HB3' HG22 ' A' ' 60' ' ' VAL . 12.2 m-85 -129.32 154.91 46.41 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.596 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.642 ' HB2' HD23 ' A' ' 63' ' ' LEU . 43.8 tt0 -109.02 128.38 54.9 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.774 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -80.39 139.37 36.55 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.521 -172.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.607 HD21 ' HD3' ' A' ' 61' ' ' LYS . 14.2 mt -75.21 -31.84 61.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.69 -174.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -144.67 179.23 7.43 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.43 -175.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.1 m -91.0 136.19 33.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.85 0.357 . . . . 0.0 110.306 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.756 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 52.3 t80 -109.11 133.44 53.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.101 -177.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 45.7 mm -108.5 118.46 52.02 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 173.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 51.6 Cg_exo -54.95 132.93 55.14 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 123.42 2.747 . . . . 0.0 113.229 -175.181 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -76.98 -32.15 57.03 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 174.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -133.18 155.23 49.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.069 -1.423 . . . . 0.0 107.558 169.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -72.7 -8.49 55.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.668 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -62.32 -29.23 70.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.627 0.727 . . . . 0.0 109.076 169.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.529 ' HA ' ' O ' ' A' ' 54' ' ' THR . 22.8 mt-10 -83.54 158.29 22.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.375 177.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.789 HD11 ' HG3' ' A' ' 51' ' ' GLN . 16.7 tp -91.97 135.2 34.14 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.844 -173.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.493 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 6.4 tt0 -77.21 115.16 16.76 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 172.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.774 HD11 ' CB ' ' A' ' 11' ' ' ALA . 2.8 tm? -114.2 136.14 53.28 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.786 -166.206 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.411 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 9.5 tpt180 -104.87 151.57 23.68 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.731 0.301 . . . . 0.0 110.282 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -56.86 133.95 54.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.582 0.705 . . . . 0.0 111.464 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.31 27.45 72.45 Favored Glycine 0 C--N 1.32 -0.346 0 CA-C-N 115.034 -0.984 . . . . 0.0 113.006 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -89.91 142.65 27.5 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.636 ' HB ' ' HD3' ' A' ' 47' ' ' ARG . 3.0 mp -99.46 122.48 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.443 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 11.0 p -112.96 147.24 16.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.478 -174.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.483 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 17.4 m-20 -120.78 127.69 52.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.121 174.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.851 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.96 123.4 33.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 122.002 0.906 . . . . 0.0 112.315 -177.359 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.634 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 96.2 mmm -82.16 -36.41 27.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 113.848 -1.524 . . . . 0.0 110.429 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.519 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 8.1 tp10 -146.45 138.01 24.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.151 176.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.65 ' HD2' ' H ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -100.83 121.92 42.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.463 -177.162 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.9 m -104.09 133.46 49.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.875 0.369 . . . . 0.0 110.421 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.29 -10.57 43.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.571 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -76.96 -12.25 59.92 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.288 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.5 -2.12 23.49 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.286 -0.959 . . . . 0.0 113.493 174.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 3.6 p90 -121.44 154.3 36.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 117.681 0.741 . . . . 0.0 110.062 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.51 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 12.3 m-85 -123.52 164.33 19.19 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.851 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.7 t -90.49 155.93 3.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 171.102 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.483 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -152.63 153.9 25.17 Favored Glycine 0 C--N 1.302 -1.32 0 C-N-CA 119.557 -1.306 . . . . 0.0 113.069 -172.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 m -112.98 128.06 56.4 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.6 t -87.35 139.94 30.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.114 0.483 . . . . 0.0 110.507 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.636 ' HD3' ' HB ' ' A' ' 30' ' ' ILE . 46.2 mtm180 -73.75 -9.31 58.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.703 -176.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.411 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 72.5 mtp180 -66.34 -53.45 36.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.695 -172.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -138.64 19.93 2.7 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.483 0.658 . . . . 0.0 110.304 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 59.18 42.97 17.82 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.831 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.789 ' HG3' HD11 ' A' ' 23' ' ' LEU . 26.7 pt20 -96.43 156.17 16.45 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.496 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -117.22 113.01 21.6 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.072 0.463 . . . . 0.0 110.87 -171.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.609 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.41 150.24 20.2 Favored Glycine 0 C--O 1.221 -0.693 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.882 178.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.612 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.0 t -101.53 144.41 30.33 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 117.402 0.601 . . . . 0.0 110.422 178.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.443 ' CZ ' HG21 ' A' ' 31' ' ' VAL . 50.6 p90 -163.6 161.3 17.57 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 41' ' ' TRP . 43.6 Cg_exo -56.06 134.06 61.86 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 122.718 2.278 . . . . 0.0 112.485 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.32 -5.79 88.44 Favored Glycine 0 C--O 1.227 -0.315 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.139 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -92.21 25.72 2.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.344 0.592 . . . . 0.0 110.02 -178.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -125.86 -7.64 6.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.823 0.82 . . . . 0.0 109.336 -175.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.545 HG23 ' HA ' ' A' ' 11' ' ' ALA . 8.8 p -120.45 154.99 23.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.591 -175.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.607 ' HD3' HD21 ' A' ' 12' ' ' LEU . 40.1 mtpt -122.43 155.17 62.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -177.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -54.6 147.63 47.97 Favored 'Trans proline' 0 N--CA 1.473 0.304 0 C-N-CA 124.137 3.225 . . . . 0.0 113.565 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.642 HD23 ' HB2' ' A' ' 10' ' ' GLN . 52.2 mt -66.35 170.63 5.73 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.039 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.8 p90 . . . . . 0 C--O 1.244 0.791 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.011 174.868 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.444 -0.738 0 CA-C-O 121.396 0.617 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.588 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 23.8 m-85 -133.49 155.3 49.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.543 -176.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -109.21 130.11 55.49 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.645 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.46 138.97 37.77 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.533 0.682 . . . . 0.0 111.64 -171.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.473 HD21 ' HB3' ' A' ' 61' ' ' LYS . 14.5 mt -73.88 -33.8 64.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.299 -175.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -144.23 158.16 43.88 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.508 -174.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 m -73.61 135.37 43.83 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.531 174.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.733 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 50.5 t80 -121.72 133.27 54.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.964 -177.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.6 mm -103.23 127.54 29.51 Favored Pre-proline 0 C--N 1.313 -0.996 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.407 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.548 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 32.2 Cg_exo -54.91 132.91 54.91 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.965 2.443 . . . . 0.0 112.917 -175.181 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -93.11 -35.31 13.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 173.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.583 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 5.4 m-20 -116.88 152.22 34.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.559 -1.201 . . . . 0.0 108.583 176.318 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.88 1.81 25.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.012 0.435 . . . . 0.0 111.209 -178.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -88.49 -14.17 38.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.757 0.789 . . . . 0.0 108.934 170.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.583 ' HG3' ' HB2' ' A' ' 19' ' ' ASN . 84.1 mt-10 -88.05 171.87 9.96 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.357 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.678 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 16.7 tp -109.35 143.32 39.05 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.52 -172.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.548 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.1 tt0 -78.18 115.04 17.62 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 168.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.733 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -115.73 136.0 53.49 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.22 -167.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' A' ' 26' ' ' ARG . 17.3 mmt180 -116.07 152.26 33.94 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.281 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -58.11 134.45 56.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.428 0.632 . . . . 0.0 110.569 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.26 35.62 60.28 Favored Glycine 0 C--N 1.317 -0.504 0 CA-C-N 115.081 -0.963 . . . . 0.0 112.668 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -108.41 148.7 29.77 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 175.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.588 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -99.82 134.73 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.862 0.363 . . . . 0.0 110.389 -174.214 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.477 HG23 ' HA3' ' A' ' 44' ' ' GLY . 7.1 p -110.16 141.65 24.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-O 121.241 0.543 . . . . 0.0 111.287 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.641 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 32.7 t70 -133.09 119.2 19.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.285 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.887 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -75.97 124.12 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 122.054 0.93 . . . . 0.0 113.109 -168.035 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.465 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 12.8 mmt -91.27 -32.5 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 113.98 -1.463 . . . . 0.0 110.065 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -155.04 142.27 19.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.231 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.78 127.61 55.85 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.26 0.552 . . . . 0.0 112.276 -175.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.2 m -90.18 145.39 25.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -60.63 -24.58 65.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.732 -168.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.74 -23.26 53.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.397 . . . . 0.0 111.165 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.13 14.1 5.65 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.362 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -95.66 121.46 37.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.404 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 6.0 m-85 -114.65 159.95 19.9 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.2 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.887 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 11.3 t -91.1 155.89 3.04 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.864 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 173.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.641 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -155.93 154.87 25.86 Favored Glycine 0 C--N 1.298 -1.538 0 C-N-CA 120.007 -1.092 . . . . 0.0 112.322 -171.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 7.4 m -108.1 127.26 53.64 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.618 ' HB2' HD21 ' A' ' 23' ' ' LEU . 45.1 t -79.01 134.58 36.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.11 0.481 . . . . 0.0 110.786 -177.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.464 HH22 ' HB2' ' A' ' 32' ' ' ASP . 2.5 mpt_? -67.16 -9.45 40.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.671 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -77.89 -81.98 0.09 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.484 -177.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.6 t -95.63 8.81 42.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.498 -173.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.3 mptt 57.72 29.86 18.0 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 178.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -99.14 161.33 13.68 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.158 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.503 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 13.8 p90 -117.57 122.05 42.61 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.805 0.812 . . . . 0.0 110.346 -175.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.678 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -137.69 156.51 23.69 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.411 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.765 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 10.9 t -101.31 144.17 30.48 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 117.646 0.723 . . . . 0.0 111.08 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.473 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 50.2 p90 -160.05 165.2 18.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.872 177.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.455 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 32.5 Cg_exo -56.67 133.67 59.5 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.531 2.154 . . . . 0.0 113.236 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.87 -6.63 85.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.507 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -92.43 11.09 27.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.372 0.606 . . . . 0.0 110.122 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -117.92 0.12 11.83 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 122.519 1.152 . . . . 0.0 108.846 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.602 HG23 ' HA ' ' A' ' 11' ' ' ALA . 9.7 p -123.82 155.91 30.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.715 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.473 ' HB3' HD21 ' A' ' 12' ' ' LEU . 8.0 ptmm? -119.87 154.02 55.07 Favored Pre-proline 0 C--O 1.222 -0.365 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.931 -178.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -55.65 146.62 64.15 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.571 2.847 . . . . 0.0 112.974 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.556 HD21 HG13 ' A' ' 30' ' ' ILE . 69.4 mt -64.75 150.19 47.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.278 175.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.6 p90 . . . . . 0 N--CA 1.44 -0.973 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.385 -178.802 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.605 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 9.8 m-85 -126.63 155.05 43.15 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.699 -176.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.519 ' HB2' HD23 ' A' ' 63' ' ' LEU . 34.6 tt0 -109.72 129.43 55.61 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.372 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.745 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.97 138.97 37.19 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.503 0.668 . . . . 0.0 111.535 -171.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.06 -36.67 72.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.554 -176.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.478 ' HA ' ' OD2' ' A' ' 27' ' ' ASP . 89.3 m-85 -147.05 179.96 7.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.077 -176.368 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.514 ' HB3' ' H ' ' A' ' 27' ' ' ASP . 19.8 p -95.88 135.33 37.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.334 0.588 . . . . 0.0 111.753 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.753 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 65.4 t80 -110.78 137.25 48.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.172 -177.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 50.5 mm -105.62 125.09 34.22 Favored Pre-proline 0 C--N 1.318 -0.803 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 175.254 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.1 Cg_exo -58.61 133.44 54.33 Favored 'Trans proline' 0 N--CA 1.472 0.211 0 C-N-CA 123.078 2.519 . . . . 0.0 113.128 -176.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -81.56 -45.85 15.29 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 172.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -113.94 166.9 11.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.129 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.81 -15.04 61.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.003 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.465 ' O ' HG22 ' A' ' 54' ' ' THR . 28.8 m-20 -73.68 -23.72 59.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.729 176.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 54' ' ' THR . 17.9 mt-10 -82.94 163.1 21.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.266 -177.622 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.646 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 20.4 tp -105.33 143.46 33.47 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.238 -176.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.9 tt0 -77.21 115.13 16.73 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 172.366 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.753 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 1.7 tm? -108.67 136.63 47.94 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -170.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.456 ' HA ' ' CB ' ' A' ' 14' ' ' SER . 28.0 mmt180 -117.8 153.86 32.74 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 120.514 -0.475 . . . . 0.0 110.889 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.514 ' H ' ' HB3' ' A' ' 14' ' ' SER . 4.2 m-20 -53.25 131.94 38.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.369 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.61 38.04 95.74 Favored Glycine 0 CA--C 1.518 0.249 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.91 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.438 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 40.6 t0 -101.69 148.49 25.2 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 175.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.605 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.8 mp -99.48 133.8 41.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.952 0.406 . . . . 0.0 110.042 -175.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.482 ' HB ' ' HZ ' ' A' ' 55' ' ' PHE . 5.1 p -110.5 137.35 43.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.527 0.679 . . . . 0.0 111.05 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.614 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 18.3 t70 -124.8 116.33 22.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.128 175.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.89 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -75.96 123.26 31.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.896 0.855 . . . . 0.0 112.703 -169.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.8 mmm -87.52 -32.67 19.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.502 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.456 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 32.1 tt0 -151.92 142.51 22.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.858 -176.069 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -108.54 132.18 54.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.928 0.394 . . . . 0.0 111.912 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.9 m -98.93 125.59 44.4 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 165.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.72 -17.14 60.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.028 0.442 . . . . 0.0 111.579 -172.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.83 -13.89 58.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.908 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.21 -20.82 3.53 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 119.818 -1.182 . . . . 0.0 114.336 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -80.41 136.75 36.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.309 0.554 . . . . 0.0 110.64 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.445 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 8.9 m-85 -123.25 159.61 28.37 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 169.121 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.89 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 12.1 t -91.56 164.55 2.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 173.011 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.614 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -162.73 155.24 26.49 Favored Glycine 0 C--N 1.304 -1.208 0 C-N-CA 119.838 -1.173 . . . . 0.0 112.755 -173.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -110.2 127.05 54.74 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 175.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.517 ' HB3' HG22 ' A' ' 49' ' ' THR . 31.0 t -79.64 139.53 37.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 111.497 -177.006 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.465 ' HD3' ' O ' ' A' ' 30' ' ' ILE . 7.7 mpt_? -73.16 -11.84 60.67 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.709 177.137 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.429 ' HE ' ' HB3' ' A' ' 48' ' ' ARG . 23.2 mtp180 -100.7 -67.8 0.84 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.906 0.384 . . . . 0.0 111.907 -178.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.517 HG22 ' HB3' ' A' ' 46' ' ' SER . 13.4 t -76.85 -7.94 56.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.833 -172.266 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt 56.54 29.01 14.74 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.98 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -113.32 167.26 10.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.645 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -114.95 102.55 10.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.569 -172.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.646 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -133.45 153.33 20.76 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.584 -175.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.771 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.0 t -101.99 145.45 29.27 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.482 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 50.6 p90 -159.83 164.87 19.1 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.693 176.074 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 51.5 Cg_exo -54.41 132.79 52.87 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.229 1.953 . . . . 0.0 112.529 -178.111 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.8 22.7 34.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.696 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -127.39 21.93 6.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.895 0.855 . . . . 0.0 109.15 176.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -115.73 -4.22 12.18 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.698 HG23 ' HA ' ' A' ' 11' ' ' ALA . 12.4 p -121.28 155.17 25.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.269 -176.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.444 ' HE2' ' HB2' ' A' ' 61' ' ' LYS . 8.8 ptmm? -119.14 153.6 53.18 Favored Pre-proline 0 C--O 1.223 -0.341 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.221 -176.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.05 148.7 57.04 Favored 'Trans proline' 0 N--CA 1.474 0.377 0 C-N-CA 123.686 2.924 . . . . 0.0 113.114 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.519 HD23 ' HB2' ' A' ' 10' ' ' GLN . 69.0 mt -67.69 151.38 47.35 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.477 177.13 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--O 1.251 1.17 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.86 177.771 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.549 ' HB3' ' CG2' ' A' ' 30' ' ' ILE . 14.6 m . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 121.023 0.44 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.522 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 9.4 m-85 -124.05 154.04 40.48 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.642 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.472 ' HB2' HD23 ' A' ' 63' ' ' LEU . 29.3 tt0 -109.47 129.11 55.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.638 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.74 137.64 37.07 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.546 0.689 . . . . 0.0 111.102 -175.127 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.29 -40.51 97.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.356 -1.293 . . . . 0.0 111.659 -173.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.414 ' CZ ' ' HE1' ' A' ' 59' ' ' TYR . 42.0 p90 -151.32 -179.94 7.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.423 -177.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.6 p -83.45 137.82 33.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.025 0.44 . . . . 0.0 110.583 -178.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.719 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 53.8 t80 -125.68 137.28 53.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.202 -176.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 49.2 mm -108.43 129.58 23.84 Favored Pre-proline 0 C--N 1.315 -0.901 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.559 -179.2 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.57 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 31.5 Cg_exo -55.67 132.59 53.02 Favored 'Trans proline' 0 CA--C 1.52 -0.221 0 C-N-CA 122.962 2.442 . . . . 0.0 112.719 -175.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -87.88 -36.6 17.09 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 175.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -118.42 160.56 21.48 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.885 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -73.81 -13.69 60.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.88 0.372 . . . . 0.0 111.472 -175.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.37 -13.57 49.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.048 0.451 . . . . 0.0 110.593 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -83.98 166.84 17.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.561 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.67 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 17.4 tp -99.14 136.5 39.01 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.801 -173.171 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.57 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 8.1 tt0 -78.09 114.51 17.04 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 170.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.719 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -114.89 135.55 54.07 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.117 -164.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 28.6 mmt180 -110.14 152.54 25.91 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.437 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -60.15 131.56 51.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.211 0.529 . . . . 0.0 111.294 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.24 30.65 71.62 Favored Glycine 0 C--N 1.323 -0.189 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.577 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -91.76 145.33 24.66 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 175.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.549 ' CG2' ' HB3' ' A' ' 8' ' ' SER . 2.3 mp -99.43 129.95 49.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -178.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.479 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 7.3 p -119.5 144.17 28.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.174 0.511 . . . . 0.0 111.685 -176.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.533 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 29.4 m-20 -124.1 132.71 53.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.509 174.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.88 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.68 120.15 26.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 122.184 0.993 . . . . 0.0 111.491 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.77 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 85.3 mtp -83.03 -43.87 15.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 113.576 -1.647 . . . . 0.0 109.663 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.529 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 7.8 tp10 -141.34 147.34 37.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.079 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -107.79 128.69 54.82 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.871 -175.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.2 m -80.24 145.45 32.2 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 165.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -60.03 -19.55 53.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.283 -170.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -163.09 79.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.16 -86.14 0.15 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 119.674 -1.25 . . . . 0.0 114.23 170.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.443 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 11.2 m0 -84.53 146.85 27.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.323 0.583 . . . . 0.0 111.85 -170.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.512 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 13.9 m-85 -123.52 162.47 22.86 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 168.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.88 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.7 t -91.07 153.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 175.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -144.63 155.33 26.33 Favored Glycine 0 C--N 1.304 -1.206 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.756 -169.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.0 m -124.61 126.65 46.11 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.642 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.472 ' HB3' ' HG2' ' A' ' 48' ' ' ARG . 31.5 m -83.81 139.91 32.38 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -62.57 -18.27 61.77 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 114.935 -1.03 . . . . 0.0 113.558 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.784 ' HG3' HG22 ' A' ' 49' ' ' THR . 16.7 ptm180 -61.3 -48.9 79.25 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -174.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.784 HG22 ' HG3' ' A' ' 48' ' ' ARG . 13.3 t -152.33 20.34 0.65 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.847 0.356 . . . . 0.0 111.378 -173.486 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm 55.72 35.0 24.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.416 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.604 ' HG3' HD11 ' A' ' 23' ' ' LEU . 13.6 pt20 -81.86 152.91 26.65 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 174.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.654 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 14.3 p90 -120.56 119.22 32.3 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-O 121.933 0.873 . . . . 0.0 110.75 -170.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.67 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.71 150.65 20.62 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.782 177.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 6.3 t -102.02 143.96 31.22 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 117.379 0.59 . . . . 0.0 110.685 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.479 ' CZ ' HG21 ' A' ' 31' ' ' VAL . 52.2 p90 -164.16 164.88 13.86 Favored Pre-proline 0 CA--C 1.531 0.225 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.937 177.169 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 36.1 Cg_exo -57.78 134.11 60.62 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.47 2.114 . . . . 0.0 112.722 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.96 -2.66 89.52 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.132 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -92.94 15.79 14.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.287 0.565 . . . . 0.0 109.75 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.414 ' HE1' ' CZ ' ' A' ' 13' ' ' TYR . 2.9 t80 -114.79 -13.33 12.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.985 -174.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.611 HG23 ' HA ' ' A' ' 11' ' ' ALA . 12.6 p -119.12 153.01 21.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.347 -173.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.483 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 8.6 ptmm? -117.75 156.66 49.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.236 -174.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 14.3 Cg_endo -54.66 148.71 43.45 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 123.525 2.817 . . . . 0.0 112.703 177.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 8' ' ' SER . 67.9 mt -62.19 140.58 58.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.302 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--O 1.248 0.997 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.858 178.206 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 m -97.46 -54.23 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.7 0.286 . . . . 0.0 110.497 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -61.97 -58.6 7.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.374 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 64.52 115.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 O-C-N 124.075 0.859 . . . . 0.0 112.501 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -86.0 -162.69 0.77 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.354 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.2 mt -83.33 -172.7 4.29 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -126.59 169.45 13.08 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.109 0.48 . . . . 0.0 110.501 -176.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.702 ' HB2' HD11 ' A' ' 63' ' ' LEU . 4.2 m -108.95 144.74 36.52 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.836 -176.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.587 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 15.2 m-85 -125.35 153.08 43.88 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.303 -178.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -108.28 127.9 54.27 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 176.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.757 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.55 139.22 37.6 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.94 -171.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.2 -42.0 89.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.809 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.407 ' CZ ' ' HE2' ' A' ' 59' ' ' TYR . 35.5 p90 -152.07 -179.48 7.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.007 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.475 ' HB3' ' H ' ' A' ' 27' ' ' ASP . 29.8 p -83.54 150.16 26.13 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.344 0.592 . . . . 0.0 111.78 -176.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.655 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 58.4 t80 -134.18 137.5 44.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.866 -174.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.6 mm -107.27 128.08 26.68 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.554 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 31.0 Cg_exo -59.74 132.67 46.69 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.667 2.245 . . . . 0.0 112.378 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -104.37 -29.62 10.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.152 0.977 . . . . 0.0 108.843 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -113.73 151.63 31.65 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.033 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -73.73 0.12 13.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.841 0.353 . . . . 0.0 111.196 -177.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.526 ' O ' HG22 ' A' ' 54' ' ' THR . 10.6 m-20 -97.73 -14.34 20.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.577 175.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -83.88 169.65 14.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.468 0.651 . . . . 0.0 111.725 -176.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.713 HD11 ' HG3' ' A' ' 51' ' ' GLN . 19.6 tp -110.61 140.85 44.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.626 -174.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.554 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.6 tt0 -77.92 116.02 18.1 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 172.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.757 HD11 ' CB ' ' A' ' 11' ' ' ALA . 1.1 tm? -110.28 135.68 50.64 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.747 -170.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.582 ' N ' HD13 ' A' ' 25' ' ' LEU . 26.1 mmt180 -116.13 146.5 42.21 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.754 0.312 . . . . 0.0 110.18 176.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.475 ' H ' ' HB3' ' A' ' 14' ' ' SER . 0.8 OUTLIER -50.64 124.17 10.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.42 -176.767 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.24 30.44 60.76 Favored Glycine 0 C--O 1.228 -0.239 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.984 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -88.75 150.96 22.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.587 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.4 mp -100.11 139.56 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.0 141.7 45.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.366 0.603 . . . . 0.0 111.41 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.538 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 3.6 m-20 -125.51 126.26 44.58 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.726 -1.124 . . . . 0.0 108.663 174.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.831 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.32 126.54 37.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 122.117 0.96 . . . . 0.0 112.611 -171.465 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.793 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 93.4 mmm -81.25 -37.21 28.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.024 177.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -158.84 142.15 14.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.173 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.656 ' HD2' ' H ' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -91.53 128.05 37.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.974 -179.666 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.8 m -95.12 131.66 40.89 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 172.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -70.09 -12.42 61.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.392 -173.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -78.51 -12.99 60.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.88 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.08 -14.0 4.92 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 119.481 -1.342 . . . . 0.0 115.349 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.461 ' HB3' ' HA ' ' A' ' 56' ' ' PRO . 3.9 p90 -113.98 163.48 15.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.795 1.298 . . . . 0.0 110.636 -176.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.45 ' CE2' ' HA3' ' A' ' 57' ' ' GLY . 8.4 m-85 -124.55 166.49 15.97 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.831 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.3 t -90.64 155.73 3.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 169.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.538 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -156.46 153.48 24.75 Favored Glycine 0 C--N 1.303 -1.251 0 C-N-CA 119.371 -1.395 . . . . 0.0 113.068 -174.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 9.4 m -110.76 128.96 55.94 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.407 ' HB2' HD21 ' A' ' 23' ' ' LEU . 35.1 t -78.77 139.64 38.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.339 0.59 . . . . 0.0 110.912 -178.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.55 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -70.67 -10.67 59.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.254 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -72.89 -88.37 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.179 0.514 . . . . 0.0 111.346 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.531 HG23 ' HG2' ' A' ' 51' ' ' GLN . 2.6 t -98.15 15.9 22.91 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.528 -175.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm 60.73 33.16 20.25 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.362 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.713 ' HG3' HD11 ' A' ' 23' ' ' LEU . 11.2 pt20 -92.72 153.32 19.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.222 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.507 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 6.0 p90 -117.13 121.01 40.08 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.728 0.775 . . . . 0.0 110.283 -176.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.655 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.5 156.96 23.36 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 114.749 -1.114 . . . . 0.0 111.448 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.616 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.8 t -101.69 143.94 31.01 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 117.675 0.737 . . . . 0.0 110.731 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.506 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 50.1 p90 -166.59 166.54 8.92 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.9 177.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.506 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 53.1 Cg_exo -52.86 133.78 52.36 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.666 2.244 . . . . 0.0 112.938 -178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.45 ' HA3' ' CE2' ' A' ' 42' ' ' PHE . . . -87.36 -9.11 73.33 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.789 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -99.46 11.39 39.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.03 0.919 . . . . 0.0 109.006 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.546 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 3.5 t80 -100.24 -11.22 20.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.374 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.699 HG23 ' HA ' ' A' ' 11' ' ' ALA . 13.5 p -120.22 156.8 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.923 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.603 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.493 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 15.3 ptmt -120.97 160.74 43.71 Favored Pre-proline 0 C--N 1.324 -0.503 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.654 -176.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.493 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 11.3 Cg_endo -52.26 142.9 44.85 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.16 2.573 . . . . 0.0 111.558 175.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 8' ' ' SER . 82.4 mt -47.38 127.95 11.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.677 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.251 1.133 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.445 -175.577 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.9 m -130.14 32.23 4.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.349 0.595 . . . . 0.0 110.787 -173.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -72.79 -15.17 61.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.491 0.663 . . . . 0.0 109.818 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -132.78 138.59 47.2 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.498 174.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -86.27 142.78 28.3 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.191 0.519 . . . . 0.0 110.066 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.49 HD13 HG13 ' A' ' 33' ' ' VAL . 32.6 mt -92.17 177.75 6.06 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.8 -175.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -113.75 162.19 16.6 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.51 -175.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.9 m -105.81 144.79 32.06 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.388 -0.824 . . . . 0.0 108.861 175.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.526 ' HB3' HG22 ' A' ' 60' ' ' VAL . 13.4 m-85 -126.34 154.89 42.89 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -177.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.482 ' HB2' HD23 ' A' ' 63' ' ' LEU . 29.7 tt0 -108.94 126.16 52.79 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.667 ' HA ' HG23 ' A' ' 60' ' ' VAL . . . -79.53 133.86 36.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.493 0.664 . . . . 0.0 110.753 -174.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.511 HD21 ' CD ' ' A' ' 61' ' ' LYS . 16.7 mt -65.56 -36.96 85.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.529 -171.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -150.36 169.01 22.42 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.23 -176.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.7 p -78.13 143.03 37.64 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.902 0.382 . . . . 0.0 110.223 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.583 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 5.6 t80 -130.93 130.09 43.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 -172.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 51.5 mm -94.48 127.16 45.12 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 52.2 Cg_exo -52.44 135.97 55.45 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.561 2.841 . . . . 0.0 113.353 -176.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -87.34 -36.55 17.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -122.24 158.99 28.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.983 178.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -74.75 -9.68 58.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -82.34 -17.31 46.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.104 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -93.29 171.66 8.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.577 0.704 . . . . 0.0 111.567 -173.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.685 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 23.6 tp -98.4 142.7 29.71 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.845 -174.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.527 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 7.0 tt0 -77.36 115.45 17.15 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 169.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.666 HD11 ' CB ' ' A' ' 11' ' ' ALA . 2.0 tm? -102.0 135.92 42.73 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.961 -170.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.516 ' HB2' ' HD3' ' A' ' 48' ' ' ARG . 25.6 mmt180 -119.58 148.16 43.64 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.12 137.4 58.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.233 0.54 . . . . 0.0 111.834 -173.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.39 24.53 76.79 Favored Glycine 0 CA--C 1.509 -0.304 0 CA-C-N 114.867 -1.06 . . . . 0.0 112.707 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.499 ' HB2' ' O ' ' A' ' 26' ' ' ARG . 7.8 t0 -88.3 142.23 27.91 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.552 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 2.5 mp -98.65 129.25 49.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.45 HG23 ' HA3' ' A' ' 44' ' ' GLY . 3.3 p -109.52 135.07 49.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-O 121.551 0.691 . . . . 0.0 111.191 -176.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.472 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 3.8 m-20 -121.05 124.68 45.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.787 174.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.902 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -76.38 120.57 26.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.708 0.766 . . . . 0.0 112.008 -175.118 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.682 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 22.8 mmt -82.72 -36.7 25.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.172 178.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.5 ' O ' HG23 ' A' ' 43' ' ' VAL . 7.5 tp10 -156.55 152.97 27.96 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -98.41 124.95 43.38 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.149 0.5 . . . . 0.0 111.254 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.8 m -82.46 135.97 35.01 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -61.4 -21.38 64.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.734 -173.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -63.21 -33.31 75.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 0.0 110.703 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.93 -0.14 7.14 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.276 -175.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.446 ' CE3' ' HA ' ' A' ' 56' ' ' PRO . 4.7 m95 -93.14 162.12 14.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.504 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 5.8 m-85 -127.37 162.47 26.23 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 176.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.902 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.9 t -89.23 151.63 3.45 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.718 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -150.27 155.65 26.32 Favored Glycine 0 C--N 1.304 -1.24 0 C-N-CA 119.858 -1.163 . . . . 0.0 112.95 -170.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.1 m -115.99 127.84 55.25 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.752 -0.263 . . . . 0.0 110.59 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 11.4 t -79.1 129.56 34.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.149 0.499 . . . . 0.0 110.837 178.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.583 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -79.75 -22.17 43.58 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.288 176.658 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.516 ' HD3' ' HB2' ' A' ' 26' ' ' ARG . 40.5 mtp180 -87.11 -40.87 14.25 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.495 -174.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.6 t -110.48 2.98 19.19 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.726 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 46' ' ' SER . 68.6 mmtt 51.02 41.09 26.94 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 176.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -118.87 161.16 20.63 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -117.39 117.22 28.9 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.869 0.843 . . . . 0.0 110.134 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.685 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.92 157.24 23.65 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.551 -179.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.583 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.8 t -101.55 143.22 31.8 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 117.508 0.654 . . . . 0.0 110.612 178.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.509 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 52.3 p90 -164.9 168.02 9.2 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.476 -177.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.509 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 52.3 Cg_exo -54.55 134.08 60.08 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.331 2.021 . . . . 0.0 113.248 -178.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.85 -7.95 59.59 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.044 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -94.35 26.35 3.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.688 0.756 . . . . 0.0 109.437 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -123.57 -10.58 7.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.086 -175.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.667 HG23 ' HA ' ' A' ' 11' ' ' ALA . 14.0 p -118.31 156.5 20.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.319 -171.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.511 ' CD ' HD21 ' A' ' 12' ' ' LEU . 33.0 mtpt -116.48 153.07 48.83 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.925 0.393 . . . . 0.0 111.747 -176.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -56.72 147.93 68.6 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.743 2.962 . . . . 0.0 112.103 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' A' ' 10' ' ' GLN . 80.8 mt -60.02 126.95 29.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.41 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.5 t80 . . . . . 0 C--O 1.25 1.13 0 O-C-N 124.668 1.23 . . . . 0.0 112.244 -177.33 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.78 0.324 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m -88.76 63.1 6.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.238 0.542 . . . . 0.0 110.755 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -78.99 -45.94 19.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.589 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 53.69 94.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.641 176.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -72.12 169.77 15.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.378 174.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.413 HD12 HG11 ' A' ' 33' ' ' VAL . 33.4 mt -83.1 -149.96 0.1 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.653 -175.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -101.72 162.43 12.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.347 -175.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.719 ' HB2' HD11 ' A' ' 63' ' ' LEU . 3.5 m -91.23 145.07 24.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.5 177.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.601 ' HB3' HG22 ' A' ' 60' ' ' VAL . 35.0 m-85 -127.88 154.76 45.13 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.617 ' HB2' HD23 ' A' ' 63' ' ' LEU . 45.9 tt0 -109.34 127.28 54.2 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.703 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -80.02 138.45 37.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.493 0.663 . . . . 0.0 112.041 -170.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.445 HD21 ' HB3' ' A' ' 61' ' ' LYS . 10.6 mt -72.92 -36.01 67.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.821 -176.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -140.38 172.78 12.24 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.451 -174.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.5 p -92.28 133.9 35.41 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.404 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.748 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 36.7 t80 -108.94 129.17 55.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.381 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 49.7 mm -103.8 125.55 34.35 Favored Pre-proline 0 C--N 1.315 -0.894 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.52 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.1 Cg_exo -57.13 133.0 54.81 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 123.052 2.501 . . . . 0.0 113.112 -176.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -92.45 -41.66 10.17 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 172.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -114.38 159.02 20.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.06 -1.427 . . . . 0.0 108.623 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.09 -14.84 61.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.349 0.595 . . . . 0.0 109.692 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.428 ' O ' HG22 ' A' ' 54' ' ' THR . 24.8 m-20 -71.54 -24.58 61.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.941 174.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -84.63 158.9 20.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.3 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.656 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 21.6 tp -101.9 145.8 28.72 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.504 -174.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.52 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.7 tt0 -77.8 115.04 17.24 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 170.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.748 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 2.6 tm? -111.89 134.85 53.18 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -173.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.436 ' HG3' ' CD ' ' A' ' 48' ' ' ARG . 16.5 mmt180 -112.94 157.73 21.11 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.122 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -58.59 132.95 55.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.178 0.514 . . . . 0.0 110.438 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.51 30.97 78.74 Favored Glycine 0 C--N 1.319 -0.375 0 CA-C-N 115.273 -0.876 . . . . 0.0 113.249 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -93.26 150.07 20.76 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.586 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 2.4 mp -100.0 134.44 39.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -176.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.494 ' HB ' ' HZ ' ' A' ' 55' ' ' PHE . 2.8 p -111.11 128.5 67.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.646 0.736 . . . . 0.0 111.487 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -115.76 120.44 39.32 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.527 -1.215 . . . . 0.0 108.181 171.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.887 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.29 122.1 29.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 122.018 0.913 . . . . 0.0 112.653 -172.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.678 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 94.8 mmm -81.82 -41.3 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 113.559 -1.655 . . . . 0.0 109.946 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.432 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 27.3 tt0 -144.92 145.39 31.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.71 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 34.0 mtmt -105.17 127.48 52.93 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.844 -171.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.645 ' HB2' ' O ' ' A' ' 41' ' ' TRP . 69.1 m -87.21 141.8 28.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 167.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.19 -5.97 31.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.454 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -165.9 93.66 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.654 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.97 -72.17 0.47 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.109 -1.043 . . . . 0.0 114.562 165.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.645 ' O ' ' HB2' ' A' ' 37' ' ' CYS . 16.0 m0 -104.85 152.05 23.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.159 0.504 . . . . 0.0 111.425 -170.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.457 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 13.5 m-85 -123.84 163.36 21.4 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 163.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.887 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.5 t -90.91 152.18 3.38 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 174.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -145.16 155.16 26.35 Favored Glycine 0 C--N 1.303 -1.283 0 C-N-CA 119.863 -1.16 . . . . 0.0 113.037 -171.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.1 m -113.07 128.03 56.38 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 175.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.471 ' N ' HD21 ' A' ' 23' ' ' LEU . 30.5 t -79.0 135.32 36.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.094 0.473 . . . . 0.0 110.548 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.601 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -76.11 -8.83 57.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.546 -179.724 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.436 ' CD ' ' HG3' ' A' ' 26' ' ' ARG . 39.3 mtp180 -84.29 -79.88 0.21 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.013 0.435 . . . . 0.0 110.996 177.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 t -82.7 -3.03 55.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.549 -173.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm 60.05 29.65 19.2 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.593 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -97.17 166.23 11.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.773 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -115.66 109.02 17.15 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.12 -173.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.656 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -134.26 155.74 22.03 Favored Glycine 0 C--O 1.221 -0.711 0 C-N-CA 121.111 -0.566 . . . . 0.0 111.958 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 6.9 t -102.29 144.52 30.69 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 117.201 0.5 . . . . 0.0 111.049 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.494 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 49.1 p90 -161.6 162.13 21.55 Favored Pre-proline 0 C--O 1.233 0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.989 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 51.7 Cg_exo -54.35 134.16 59.74 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.661 2.241 . . . . 0.0 113.098 -177.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.41 7.03 82.86 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.356 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -113.69 26.27 10.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 122.291 1.043 . . . . 0.0 108.977 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -120.71 -1.37 10.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.404 1.097 . . . . 0.0 108.134 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.693 HG23 ' HA ' ' A' ' 11' ' ' ALA . 11.7 p -123.37 158.84 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 114.259 -1.337 . . . . 0.0 109.787 -174.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.569 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 15.2 ptmt -123.25 163.59 33.01 Favored Pre-proline 0 C--O 1.226 -0.175 0 O-C-N 122.367 -0.208 . . . . 0.0 110.495 -177.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.569 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 12.2 Cg_endo -54.6 145.55 58.38 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 123.204 2.602 . . . . 0.0 112.503 176.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.719 HD11 ' HB2' ' A' ' 8' ' ' SER . 65.2 mt -52.68 140.81 22.53 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.308 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.148 179.499 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 121.089 0.471 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 m -60.46 -39.67 88.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.092 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 m -154.61 -175.99 5.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.661 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -79.04 105.37 10.32 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 177.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -77.86 155.82 30.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.63 -177.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 6' ' ' LEU . 46.3 mt -86.65 -166.74 1.65 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.127 -176.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -123.27 166.49 15.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.457 -176.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.787 ' HB2' HD11 ' A' ' 63' ' ' LEU . 4.9 m -104.87 146.18 29.37 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 17.9 m-85 -120.82 150.67 40.67 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.038 -178.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.725 ' HB2' HD23 ' A' ' 63' ' ' LEU . 52.5 tt0 -109.55 128.94 55.56 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.615 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.89 139.39 37.13 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.34 0.591 . . . . 0.0 111.736 -171.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.84 -45.76 88.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.812 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -152.27 178.91 9.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.715 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -77.43 140.22 39.83 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.228 0.537 . . . . 0.0 111.756 -174.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.725 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 42.4 t80 -127.65 139.88 52.44 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.819 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.2 mm -106.66 131.61 21.57 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.08 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.6 Cg_exo -57.82 133.35 55.55 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.889 2.393 . . . . 0.0 112.758 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -85.5 -36.2 20.69 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 173.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -126.48 163.46 23.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.129 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.6 -5.94 56.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.297 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.466 ' O ' HG22 ' A' ' 54' ' ' THR . 3.3 p30 -86.76 -14.29 42.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.064 0.459 . . . . 0.0 109.807 172.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 54' ' ' THR . 30.5 mt-10 -84.75 171.52 12.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.098 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.669 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 19.5 tp -111.05 139.0 46.77 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.472 -174.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.541 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.6 tt0 -77.27 116.17 17.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 170.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.725 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -112.85 135.57 53.46 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.704 -168.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.88 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 22.6 mmt180 -116.37 159.38 22.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.812 0.339 . . . . 0.0 110.522 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -58.72 136.03 57.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.588 0.709 . . . . 0.0 111.957 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.95 26.38 68.92 Favored Glycine 0 C--N 1.323 -0.14 0 CA-C-N 114.751 -1.113 . . . . 0.0 113.212 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -90.47 149.63 22.14 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.611 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 2.2 mp -99.76 140.41 19.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -176.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.491 HG23 ' HA3' ' A' ' 44' ' ' GLY . 3.5 p -119.12 130.84 73.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.532 0.682 . . . . 0.0 111.261 177.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.617 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 10.3 m-20 -114.88 121.82 44.39 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.527 173.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.896 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -75.92 121.43 27.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 122.021 0.915 . . . . 0.0 112.476 -172.426 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.731 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 92.3 mmm -81.7 -39.11 24.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 113.825 -1.534 . . . . 0.0 109.54 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.38 155.15 38.06 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 121.501 0.667 . . . . 0.0 110.63 175.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 22.7 mtmt -106.4 132.74 52.08 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.534 -1.212 . . . . 0.0 112.192 -171.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.3 m -107.5 135.06 49.61 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 168.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.17 -19.42 64.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.969 -173.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -68.96 -15.83 63.58 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.27 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.13 17.35 16.26 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.434 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -107.18 137.62 44.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.44 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 6.8 m-85 -125.02 164.44 20.15 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.176 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.896 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.5 t -90.51 156.32 3.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 169.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.617 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -157.46 154.65 25.72 Favored Glycine 0 C--N 1.305 -1.157 0 C-N-CA 119.232 -1.461 . . . . 0.0 113.339 -172.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 9.9 m -110.79 129.35 55.87 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 173.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.462 ' CB ' HG22 ' A' ' 49' ' ' THR . 30.8 t -78.5 132.73 37.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.126 0.488 . . . . 0.0 110.79 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.621 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -77.48 -19.47 55.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.729 179.564 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.88 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 52.6 mtt-85 -87.52 -65.56 1.0 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.373 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.462 HG22 ' CB ' ' A' ' 46' ' ' SER . 7.6 t -84.39 -4.33 58.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.595 -171.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt 57.72 30.61 19.19 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.973 175.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -111.8 160.77 17.02 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 1.6 p90 -116.91 114.2 23.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.789 0.804 . . . . 0.0 109.974 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.669 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -137.35 157.92 24.17 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 114.821 -1.082 . . . . 0.0 111.945 -177.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.8 t -101.19 145.72 28.44 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 117.341 0.571 . . . . 0.0 110.198 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.493 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 53.1 p90 -163.42 166.93 12.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.493 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 32.1 Cg_exo -56.23 133.36 57.54 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.388 2.059 . . . . 0.0 112.821 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.23 -6.66 81.15 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.725 176.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -94.68 26.45 3.5 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.456 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 7.0 t80 -129.88 -5.5 4.53 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.954 0.883 . . . . 0.0 109.116 -177.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.59 HG23 ' HA ' ' A' ' 11' ' ' ALA . 10.9 p -120.61 157.8 23.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.084 -0.962 . . . . 0.0 108.944 -176.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.437 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 9.7 ptmm? -124.15 158.79 59.56 Favored Pre-proline 0 C--N 1.33 -0.28 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.966 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 9.8 Cg_endo -51.8 143.16 39.55 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 123.322 2.681 . . . . 0.0 112.332 175.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.787 HD11 ' HB2' ' A' ' 8' ' ' SER . 70.5 mt -52.96 141.68 21.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.831 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.2 t80 . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.996 173.827 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 p -86.94 93.77 9.42 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.144 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 m -61.91 139.65 58.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.995 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 65.65 100.98 0.04 OUTLIER 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.57 -173.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -82.7 -179.46 7.44 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.907 -174.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.6 mt -76.84 -165.15 0.5 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.293 0.568 . . . . 0.0 110.822 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.525 ' HD1' ' HE1' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -134.48 143.23 47.38 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.118 178.641 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.614 ' HB2' HD11 ' A' ' 63' ' ' LEU . 5.1 m -114.07 145.9 40.97 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.214 -174.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.576 ' HB3' HG22 ' A' ' 60' ' ' VAL . 25.4 m-85 -127.98 154.43 45.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.778 -179.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.688 ' HB2' HD23 ' A' ' 63' ' ' LEU . 35.5 tt0 -110.06 129.99 55.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.688 ' HA ' HG23 ' A' ' 60' ' ' VAL . . . -80.36 139.08 36.72 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.383 0.611 . . . . 0.0 112.373 -169.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.509 ' CD2' ' HD2' ' A' ' 61' ' ' LYS . 15.2 mt -74.19 -33.59 63.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.379 -177.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -139.2 168.33 20.06 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -177.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.3 p -87.57 134.79 33.57 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 123.462 0.476 . . . . 0.0 110.401 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.681 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 21.6 t80 -110.21 133.88 52.79 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -176.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.7 mm -107.91 128.06 26.5 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.617 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 31.5 Cg_exo -55.49 133.07 55.94 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.859 2.373 . . . . 0.0 112.775 -176.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -106.83 -32.09 8.09 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -114.88 161.44 18.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.772 -1.103 . . . . 0.0 109.545 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.56 -17.64 61.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.713 -173.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -101.02 3.87 41.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.929 0.395 . . . . 0.0 111.011 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -87.2 171.4 10.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.063 0.458 . . . . 0.0 110.553 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.635 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 16.3 tp -111.49 141.04 45.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.404 -170.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.617 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 5.2 tt0 -81.54 114.7 20.44 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 169.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.681 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 2.8 tm? -120.05 135.07 55.07 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.901 -165.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.947 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 18.4 tpt180 -100.49 154.21 18.73 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -64.06 139.38 58.76 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.57 28.6 72.73 Favored Glycine 0 C--N 1.316 -0.564 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.002 -176.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.529 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 28.7 t0 -95.45 151.74 19.02 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.535 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.2 mp -99.2 133.21 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.83 0.348 . . . . 0.0 110.192 -175.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.55 146.74 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.417 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.609 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 4.0 m-20 -128.21 131.0 48.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.887 175.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.924 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.75 121.14 28.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 122.127 0.965 . . . . 0.0 112.33 -176.027 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.604 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 18.6 mmt -88.01 -36.57 16.94 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 114.106 -1.406 . . . . 0.0 110.487 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -146.88 145.22 29.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -106.49 133.24 51.48 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.605 -173.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.3 t -85.98 148.39 25.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.321 0.582 . . . . 0.0 109.856 170.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.69 -24.29 66.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.549 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -173.37 78.99 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.025 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.43 -87.24 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.183 -1.008 . . . . 0.0 112.479 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -133.72 173.21 11.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.043 0.449 . . . . 0.0 111.485 -175.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.465 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 13.5 m-85 -117.83 164.16 15.44 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 169.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.924 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.5 t -89.78 155.78 3.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 174.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.609 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -149.7 155.98 26.54 Favored Glycine 0 C--N 1.303 -1.253 0 C-N-CA 119.868 -1.158 . . . . 0.0 113.408 -168.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.1 m -117.4 127.42 54.02 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.3 t -88.26 139.93 30.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.954 0.407 . . . . 0.0 111.333 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.529 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . 4.4 mpt_? -71.02 -9.11 57.47 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.257 177.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.947 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 48.7 mtp180 -72.15 -63.56 1.12 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.117 0.484 . . . . 0.0 111.544 -174.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.576 HG23 ' HG2' ' A' ' 51' ' ' GLN . 9.4 t -123.19 14.04 9.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.614 0.721 . . . . 0.0 110.281 -177.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 51.18 38.25 20.57 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.009 -0.996 . . . . 0.0 112.835 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.59 ' HG3' ' CD1' ' A' ' 23' ' ' LEU . 4.1 pt20 -95.97 166.25 11.87 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -115.37 107.8 15.69 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.273 -171.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.635 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -134.08 153.26 20.86 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.794 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 11.9 t -101.91 146.39 27.91 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 117.165 0.482 . . . . 0.0 110.74 -176.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.473 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 50.6 p90 -165.1 162.13 14.31 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.372 175.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 57.0 Cg_exo -51.54 134.68 46.76 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.957 2.438 . . . . 0.0 113.597 -175.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.43 -9.52 75.62 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.559 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -98.91 21.65 11.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.647 0.737 . . . . 0.0 109.697 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -116.01 -6.72 11.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.757 -1.11 . . . . 0.0 108.625 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.688 HG23 ' HA ' ' A' ' 11' ' ' ALA . 12.0 p -122.49 156.28 27.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.229 -176.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.702 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 17.9 ptmt -125.68 164.08 34.97 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.774 0.321 . . . . 0.0 111.183 -174.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.702 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 18.1 Cg_endo -57.69 141.53 95.56 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 123.347 2.698 . . . . 0.0 112.668 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.688 HD23 ' HB2' ' A' ' 10' ' ' GLN . 64.6 mt -55.57 152.11 9.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.299 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 . . . . . 0 C--O 1.247 0.922 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.251 175.921 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.727 0.299 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 m -95.13 -29.88 14.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.84 0.353 . . . . 0.0 111.548 -174.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 p -114.16 -55.87 2.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.421 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 59.84 88.64 0.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.749 0.656 . . . . 0.0 110.931 -175.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 t70 60.13 -148.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.308 -176.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 6' ' ' LEU . 55.9 mt -71.58 -166.91 0.22 Allowed 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.337 0.589 . . . . 0.0 111.359 176.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -102.22 171.21 7.61 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.237 -175.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m -95.95 142.65 27.93 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.478 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.593 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 7.5 m-85 -127.4 155.04 44.26 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.714 -176.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.544 ' HB2' HD23 ' A' ' 63' ' ' LEU . 52.1 tt0 -110.38 132.89 53.78 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.629 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.7 138.69 37.41 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.453 0.644 . . . . 0.0 111.493 -171.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -74.74 -32.51 62.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.67 -175.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.438 ' HB2' ' OH ' ' A' ' 59' ' ' TYR . 67.5 m-85 -141.09 177.99 7.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.39 -176.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 m -86.06 135.01 33.79 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.672 170.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.719 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 34.2 t80 -123.42 132.22 53.88 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.871 -176.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.9 mm -103.73 131.6 21.85 Favored Pre-proline 0 C--N 1.312 -1.062 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.899 -176.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 36.8 Cg_exo -55.25 131.78 48.35 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.979 2.452 . . . . 0.0 112.814 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -90.05 -37.98 13.9 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.041 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.441 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 5.1 m-20 -115.15 166.17 12.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.137 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -71.57 -18.67 62.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.057 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -83.96 -12.47 55.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.003 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.54 ' HA ' ' O ' ' A' ' 54' ' ' THR . 72.2 mt-10 -84.47 166.72 17.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.625 0.726 . . . . 0.0 111.949 -174.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.7 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 22.3 tp -107.35 142.38 37.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.315 -174.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.539 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 4.0 tt0 -78.87 116.67 19.35 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.037 174.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.719 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -113.18 135.57 53.67 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.704 -169.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.534 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 22.7 mmt180 -117.96 157.61 26.42 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 177.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -55.04 138.79 43.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.028 0.442 . . . . 0.0 111.019 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.37 34.84 89.11 Favored Glycine 0 C--N 1.32 -0.325 0 CA-C-N 115.336 -0.847 . . . . 0.0 113.601 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.534 ' HB2' ' O ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -98.5 155.99 17.0 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 175.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.593 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -104.51 135.98 39.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 p -110.65 128.99 66.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.606 0.717 . . . . 0.0 111.31 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.416 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 9.0 m-20 -120.46 116.49 25.55 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.339 -1.301 . . . . 0.0 108.108 173.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.931 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.8 124.24 34.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.884 0.85 . . . . 0.0 112.261 -172.172 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.601 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 95.7 mmm -87.77 -35.37 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.181 178.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.528 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 12.1 tp10 -148.58 144.46 27.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.68 177.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -107.33 108.06 19.27 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.933 -176.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.6 m -85.65 122.16 29.36 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.92 -5.82 6.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.78 -176.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -86.19 3.8 41.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.058 0.456 . . . . 0.0 110.781 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.96 4.76 31.3 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.722 -0.752 . . . . 0.0 113.637 173.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.417 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 21.1 m95 -114.52 138.48 50.57 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -177.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.42 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 6.0 m-85 -116.27 160.53 20.32 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 168.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.931 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.0 t -90.91 155.89 3.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 176.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -149.57 154.28 25.65 Favored Glycine 0 C--N 1.301 -1.392 0 C-N-CA 120.185 -1.007 . . . . 0.0 112.159 -173.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.1 m -110.91 129.8 55.77 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.4 t -78.27 128.51 33.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.961 0.41 . . . . 0.0 110.967 -177.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.564 ' HD3' ' O ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -80.37 16.86 1.18 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.905 177.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 48' ' ' ARG . 52.9 mtp180 -103.5 -67.92 0.86 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.679 176.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.0 t -111.22 14.49 21.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.797 -171.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt 58.51 31.88 21.51 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -103.62 164.82 11.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.907 0.384 . . . . 0.0 111.071 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -117.78 112.9 21.03 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.343 -173.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.7 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.02 152.5 21.09 Favored Glycine 0 C--O 1.223 -0.547 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.889 178.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 8.9 t -102.07 143.81 31.44 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 117.494 0.647 . . . . 0.0 110.406 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.42 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 45.4 p90 -158.92 163.99 22.41 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.083 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 32.5 Cg_exo -56.92 133.26 56.79 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.496 2.13 . . . . 0.0 112.601 -177.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.412 ' HA3' ' CE2' ' A' ' 42' ' ' PHE . . . -92.89 12.26 70.3 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.972 -0.633 . . . . 0.0 112.816 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -107.3 14.22 26.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.293 0.568 . . . . 0.0 110.245 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.438 ' OH ' ' HB2' ' A' ' 13' ' ' TYR . 11.4 t80 -115.47 -3.42 12.39 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 122.001 0.905 . . . . 0.0 109.569 -175.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.584 HG23 ' HA ' ' A' ' 11' ' ' ALA . 11.3 p -119.75 158.63 21.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.694 -173.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.449 ' HE2' ' HB2' ' A' ' 61' ' ' LYS . 2.7 ptmm? -123.63 150.91 62.8 Favored Pre-proline 0 C--O 1.224 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 111.122 -177.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.81 146.18 79.64 Favored 'Trans proline' 0 N--CA 1.478 0.588 0 C-N-CA 123.939 3.093 . . . . 0.0 113.508 -177.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.544 HD23 ' HB2' ' A' ' 10' ' ' GLN . 74.6 mt -64.19 160.31 18.76 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.252 176.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.614 -0.708 . . . . 0.0 111.41 178.782 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.937 0.398 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' A' ' 4' ' ' GLN . 6.6 p -94.72 112.72 24.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.634 -176.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -66.1 -45.93 79.44 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.448 ' O ' ' HB ' ' A' ' 2' ' ' THR . 46.8 mt-30 -79.1 132.68 36.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.6 172.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -83.23 150.16 26.36 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.325 0.583 . . . . 0.0 110.589 -176.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.612 HD13 HG13 ' A' ' 33' ' ' VAL . 87.0 mt -107.25 -162.1 0.82 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.627 -175.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -139.97 168.94 18.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.446 ' HB2' HD11 ' A' ' 63' ' ' LEU . 3.4 m -123.1 143.36 50.03 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.733 177.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.585 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 8.7 m-85 -128.64 155.07 45.58 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -177.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.687 ' HB2' HD23 ' A' ' 63' ' ' LEU . 33.7 tt0 -111.26 130.22 55.73 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.62 ' HA ' HG23 ' A' ' 60' ' ' VAL . . . -79.74 140.33 36.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.482 0.658 . . . . 0.0 111.826 -171.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.676 HD21 ' HD3' ' A' ' 61' ' ' LYS . 13.7 mt -74.78 -32.58 62.07 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.118 -176.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -143.23 173.82 11.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.289 -176.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 m -82.81 148.01 28.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.082 0.468 . . . . 0.0 110.859 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.732 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 49.1 t80 -136.89 131.78 33.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.666 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.4 mm -104.55 132.6 20.78 Favored Pre-proline 0 C--N 1.312 -1.05 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.882 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.566 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 39.3 Cg_exo -56.86 132.9 54.51 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.59 2.194 . . . . 0.0 112.256 -177.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -89.52 -36.49 15.33 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -116.31 160.04 21.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.89 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.56 -14.6 61.67 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.368 -177.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.21 -12.73 54.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.176 0.512 . . . . 0.0 110.122 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 54' ' ' THR . 19.5 mt-10 -84.75 171.34 12.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.678 176.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.757 HD11 ' HB2' ' A' ' 46' ' ' SER . 17.4 tp -118.93 148.05 43.36 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.774 -174.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.566 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.6 tt0 -77.38 131.53 38.09 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.732 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.3 tm? -125.37 132.32 52.82 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.161 -172.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.702 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 7.1 tpt180 -111.53 158.85 18.7 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 26' ' ' ARG . 6.2 p-10 -58.31 131.22 50.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.363 0.601 . . . . 0.0 110.034 172.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.65 28.35 71.07 Favored Glycine 0 C--N 1.315 -0.605 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.881 -177.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.702 ' HB2' ' O ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER -91.66 157.51 16.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.875 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.585 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -107.17 147.16 12.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -176.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 9' ' ' TYR . 2.6 p -108.73 127.48 65.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.651 0.739 . . . . 0.0 111.365 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.739 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 17.5 t70 -117.52 109.34 16.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.347 -1.297 . . . . 0.0 108.241 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.925 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -85.07 121.61 37.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 122.047 0.927 . . . . 0.0 112.557 -172.412 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.551 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 76.1 mtm -84.55 -36.72 21.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.368 178.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 43' ' ' VAL . 10.4 tp10 -148.35 140.05 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.733 ' HD2' ' H ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -107.57 125.63 51.54 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.994 -173.814 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 41' ' ' TRP . 77.8 m -82.34 144.09 30.81 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 168.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -70.77 -8.39 51.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -141.22 70.15 1.34 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.102 0.477 . . . . 0.0 112.188 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.52 -56.22 0.49 Allowed Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.128 -1.034 . . . . 0.0 115.365 162.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.476 ' O ' ' HB2' ' A' ' 37' ' ' CYS . 47.9 m95 -88.17 135.77 33.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.903 0.382 . . . . 0.0 111.985 -169.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.498 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 8.3 m-85 -123.13 160.09 27.19 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 166.126 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.925 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.8 t -91.43 160.32 2.71 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.868 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 176.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.739 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -153.58 155.75 26.35 Favored Glycine 0 C--N 1.308 -1.015 0 C-N-CA 119.776 -1.202 . . . . 0.0 113.4 -172.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 m -109.94 135.77 50.28 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 172.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.757 ' HB2' HD11 ' A' ' 23' ' ' LEU . 23.7 t -78.2 126.72 31.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.443 0.64 . . . . 0.0 110.962 -175.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.572 HH21 ' CG ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -60.73 -32.35 71.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.83 -179.497 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 48' ' ' ARG . 48.2 mtm180 -93.61 -65.48 0.99 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.854 -172.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.2 t -88.29 0.63 55.93 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -171.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 57.2 33.32 23.14 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.174 0.511 . . . . 0.0 111.94 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -98.39 165.61 11.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.516 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.414 ' HB3' ' HE1' ' A' ' 34' ' ' MET . 46.1 m-85 -116.56 102.74 9.73 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.207 -175.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.599 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.58 152.26 20.88 Favored Glycine 0 C--O 1.222 -0.638 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.86 -175.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.585 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 14.7 t -101.65 147.56 26.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 117.059 0.43 . . . . 0.0 110.371 178.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.441 ' HE1' HD23 ' A' ' 23' ' ' LEU . 34.9 p90 -159.69 158.33 27.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.745 0.307 . . . . 0.0 110.506 177.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -61.99 133.84 46.52 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.9 2.4 . . . . 0.0 112.722 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.463 ' HA3' ' CE2' ' A' ' 42' ' ' PHE . . . -93.61 12.61 69.18 Favored Glycine 0 C--O 1.227 -0.291 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.358 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -105.3 14.4 28.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.374 0.607 . . . . 0.0 110.14 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -114.91 -4.36 12.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.194 0.997 . . . . 0.0 108.849 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.62 HG23 ' HA ' ' A' ' 11' ' ' ALA . 10.4 p -121.12 156.22 24.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.247 -171.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.676 ' HD3' HD21 ' A' ' 12' ' ' LEU . 25.4 mtpp -117.65 155.05 50.95 Favored Pre-proline 0 C--N 1.328 -0.361 0 C-N-CA 122.094 0.158 . . . . 0.0 110.853 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -51.78 144.25 35.5 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 123.47 2.78 . . . . 0.0 112.29 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.687 HD23 ' HB2' ' A' ' 10' ' ' GLN . 77.9 mt -50.48 126.85 16.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.489 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.865 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.54 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.355 0.122 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 p -90.38 37.22 0.9 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.135 0.493 . . . . 0.0 110.258 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t 64.72 -179.41 0.18 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.732 -176.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.92 66.43 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.78 -177.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.455 ' HB3' ' H ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER 44.87 -160.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.166 -1.379 . . . . 0.0 113.586 178.615 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.455 ' H ' ' HB3' ' A' ' 5' ' ' ASP . 45.6 mt -103.59 -151.6 0.44 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.033 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.423 ' H ' ' HB3' ' A' ' 6' ' ' LEU . 47.1 m-85 -102.82 162.29 13.05 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 176.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -123.21 144.66 49.23 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 174.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.62 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 32.2 m-85 -125.64 152.5 45.11 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -177.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.444 ' HB2' HD23 ' A' ' 63' ' ' LEU . 12.2 tt0 -109.37 131.13 55.35 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.626 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.9 135.35 36.41 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.283 0.563 . . . . 0.0 111.233 -174.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 61' ' ' LYS . 17.4 mt -66.04 -39.05 89.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.596 -1.184 . . . . 0.0 111.959 -173.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -149.88 170.22 19.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.525 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.542 ' HB3' ' H ' ' A' ' 27' ' ' ASP . 52.2 p -83.58 146.99 28.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.596 -176.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.643 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 63.3 t80 -137.29 141.52 41.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.071 -175.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 49.4 mm -108.87 127.67 26.9 Favored Pre-proline 0 C--N 1.319 -0.747 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.561 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 44.6 Cg_exo -54.6 133.31 56.2 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 123.309 2.673 . . . . 0.0 112.884 -176.133 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -98.84 -30.97 12.1 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 175.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.544 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 52.2 m-80 -115.17 155.97 26.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.154 173.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -71.04 -21.42 62.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.377 0.608 . . . . 0.0 110.499 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -71.57 -20.44 62.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.669 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.544 ' HG3' ' HB2' ' A' ' 19' ' ' ASN . 90.5 mt-10 -84.92 154.51 22.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.473 0.654 . . . . 0.0 111.141 -175.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.649 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 17.5 tp -94.34 144.56 25.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.256 -175.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.561 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 5.9 tt0 -77.39 116.74 18.23 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 173.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.643 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 0.9 OUTLIER -106.97 130.71 54.57 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.218 -170.199 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.52 ' HG2' ' CZ ' ' A' ' 48' ' ' ARG . 16.0 mmt180 -115.32 146.1 41.85 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 173.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.542 ' H ' ' HB3' ' A' ' 14' ' ' SER . 7.5 p-10 -56.02 126.28 25.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.473 0.654 . . . . 0.0 111.115 -176.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.434 ' HA2' ' HG2' ' A' ' 10' ' ' GLN . . . 85.91 29.12 26.91 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 114.976 -1.011 . . . . 0.0 113.111 -176.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.484 ' OD2' ' HD3' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -85.96 147.88 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.724 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.62 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.6 mp -104.35 137.07 34.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 p -109.72 136.56 45.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.741 0.782 . . . . 0.0 112.169 -173.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.689 ' HB3' HH12 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -125.45 119.13 27.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.246 -1.343 . . . . 0.0 108.051 174.077 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.93 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -79.86 121.95 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 122.15 0.976 . . . . 0.0 112.77 -173.158 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.665 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 21.3 mmt -83.44 -40.84 18.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 113.866 -1.515 . . . . 0.0 110.275 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 43' ' ' VAL . 30.6 tt0 -147.81 141.44 25.55 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 37.9 mtmt -100.66 127.28 47.12 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 -176.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.0 m -93.51 132.85 37.4 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 169.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.53 -17.67 55.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.897 -172.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.6 -22.5 60.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.06 7.68 9.21 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.31 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -101.76 139.32 37.57 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.459 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 5.4 m-85 -124.02 164.81 18.6 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.796 176.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.93 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.2 t -90.2 152.61 3.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 172.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.605 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -145.6 153.5 25.33 Favored Glycine 0 C--N 1.302 -1.343 0 C-N-CA 119.99 -1.1 . . . . 0.0 112.891 -171.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m -114.01 127.91 56.16 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.0 t -78.84 133.79 36.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.001 0.429 . . . . 0.0 111.029 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.689 HH12 ' HB3' ' A' ' 32' ' ' ASP . 4.5 mpt_? -67.45 -13.14 61.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.93 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.52 ' CZ ' ' HG2' ' A' ' 26' ' ' ARG . 13.3 mtp180 -84.53 -81.15 0.19 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.24 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 t -86.05 -0.94 56.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.648 -173.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt 60.43 29.11 18.75 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.555 178.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.415 ' HA ' ' OE1' ' A' ' 51' ' ' GLN . 13.2 mm-40 -90.54 162.49 15.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.411 178.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -115.95 107.84 15.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.846 -174.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.649 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.01 151.51 20.47 Favored Glycine 0 C--O 1.222 -0.647 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.994 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.0 t -101.42 144.39 30.28 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 117.337 0.569 . . . . 0.0 110.462 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.419 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 48.5 p90 -159.09 163.4 24.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.008 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 35.9 Cg_exo -56.09 134.26 63.05 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.561 2.174 . . . . 0.0 112.611 -178.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.91 -18.36 65.53 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.705 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -91.67 40.6 1.04 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.28 1.038 . . . . 0.0 108.607 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -136.15 -6.64 2.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.352 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.596 HG23 ' HA ' ' A' ' 11' ' ' ALA . 9.2 p -121.57 159.84 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.557 -173.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.466 ' HE3' ' HB2' ' A' ' 61' ' ' LYS . 11.1 ptmt -120.54 150.4 52.11 Favored Pre-proline 0 C--N 1.331 -0.231 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.949 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -60.82 146.89 96.77 Favored 'Trans proline' 0 N--CA 1.473 0.278 0 C-N-CA 123.579 2.853 . . . . 0.0 112.452 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 10' ' ' GLN . 81.1 mt -60.98 126.87 28.95 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.299 175.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 p90 . . . . . 0 C--O 1.247 0.968 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.144 -175.365 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 m -74.64 110.39 8.9 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 m 60.17 -141.16 0.59 Allowed 'General case' 0 C--O 1.236 0.377 0 O-C-N 123.497 0.498 . . . . 0.0 110.296 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -69.44 107.6 3.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.196 0.522 . . . . 0.0 110.425 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -112.2 10.08 20.14 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.811 1.291 . . . . 0.0 109.241 -176.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.846 HD11 ' HE2' ' A' ' 36' ' ' LYS . 11.3 mt -86.98 -170.8 3.22 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 113.355 -1.748 . . . . 0.0 111.063 -176.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -135.4 171.58 14.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.415 -178.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.421 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 4.1 m -95.87 140.65 30.34 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.045 177.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.607 ' HB3' HG22 ' A' ' 60' ' ' VAL . 25.3 m-85 -126.21 155.0 42.51 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.458 -175.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.686 ' HB2' HD23 ' A' ' 63' ' ' LEU . 32.9 tt0 -109.8 128.67 55.46 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.653 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -80.31 134.73 36.09 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.473 0.654 . . . . 0.0 111.302 -173.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.75 -41.55 99.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.468 -173.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -150.82 177.14 10.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.295 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 m -77.55 150.11 34.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.099 0.476 . . . . 0.0 111.885 -174.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.643 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 70.9 t80 -131.45 138.52 49.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.543 -177.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.446 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 49.8 mm -111.07 126.7 28.16 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.569 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 17.5 Cg_exo -63.48 131.85 33.39 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.546 2.164 . . . . 0.0 112.215 -177.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -84.54 -42.24 15.69 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 173.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -115.75 153.56 31.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.073 171.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.14 -3.35 22.77 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.401 ' O ' HG22 ' A' ' 54' ' ' THR . 15.8 m-20 -77.38 -24.7 50.53 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 170.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 54' ' ' THR . 50.7 mt-10 -84.07 157.04 21.9 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.662 177.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.606 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 17.0 tp -98.86 139.35 34.67 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.695 -171.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.569 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 4.6 tt0 -78.31 115.68 18.2 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 172.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.653 HD11 ' CB ' ' A' ' 11' ' ' ALA . 1.5 tm? -113.02 134.38 54.54 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.935 -168.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.536 ' N ' HD13 ' A' ' 25' ' ' LEU . 9.7 tpt180 -111.91 143.82 42.26 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 172.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -49.39 128.68 17.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.763 0.792 . . . . 0.0 111.616 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.45 25.3 59.22 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 114.641 -1.163 . . . . 0.0 113.392 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -78.78 149.24 32.68 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.138 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.575 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -104.63 132.01 52.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.1 p -109.52 131.64 59.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.765 0.793 . . . . 0.0 111.671 -175.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.501 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 34.7 t70 -115.85 112.28 21.7 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 113.905 -1.498 . . . . 0.0 107.877 173.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.86 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.59 125.16 36.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 122.016 0.912 . . . . 0.0 112.329 -171.386 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.458 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 94.5 mmm -88.28 -27.74 21.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.551 -177.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -160.86 147.27 15.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.056 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.846 ' HE2' HD11 ' A' ' 6' ' ' LEU . 86.9 mttt -97.3 118.21 33.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.047 178.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.4 m -91.08 129.2 37.11 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.41 -22.43 61.42 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.152 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -64.57 -21.36 66.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.251 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.15 4.72 15.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.046 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.452 ' CE3' ' HA ' ' A' ' 55' ' ' PHE . 12.3 m0 -105.36 155.01 19.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.423 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 14.3 m-85 -117.97 159.97 22.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 167.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.86 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 4.4 t -91.48 158.62 2.87 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 173.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.501 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -162.52 155.94 27.42 Favored Glycine 0 C--N 1.304 -1.246 0 C-N-CA 119.964 -1.112 . . . . 0.0 112.664 -171.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.7 m -109.91 132.46 54.13 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.37 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.564 ' OG ' ' HG2' ' A' ' 48' ' ' ARG . 46.0 t -78.04 140.62 39.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.062 -174.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.566 ' HD2' ' HB ' ' A' ' 30' ' ' ILE . 3.9 mmp_? -75.85 -33.51 60.03 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.676 0.751 . . . . 0.0 110.492 -177.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.564 ' HG2' ' OG ' ' A' ' 46' ' ' SER . 3.5 ptm180 -76.18 -46.73 27.11 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.486 -1.233 . . . . 0.0 112.582 -174.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.443 ' N ' ' HG3' ' A' ' 48' ' ' ARG . 10.4 t -121.19 4.56 10.33 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -170.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 50.83 30.16 4.92 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -82.95 160.59 22.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -115.83 101.3 8.68 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.606 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -134.24 149.73 19.85 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.846 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.695 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 5.3 t -101.09 143.33 31.33 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.849 0.357 . . . . 0.0 110.08 178.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.484 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 49.9 p90 -157.87 166.72 15.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.484 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 51.1 Cg_exo -54.29 132.54 51.21 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.289 1.993 . . . . 0.0 112.407 -178.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.7 -11.5 77.05 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.354 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -99.02 22.49 10.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.818 0.818 . . . . 0.0 109.68 177.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.421 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 3.0 t80 -113.29 -7.13 13.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.505 -1.225 . . . . 0.0 108.539 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.607 HG22 ' HB3' ' A' ' 9' ' ' TYR . 10.3 p -121.26 154.53 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.286 -175.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.449 ' HE3' ' HB2' ' A' ' 61' ' ' LYS . 11.7 ptmt -122.71 150.29 58.02 Favored Pre-proline 0 C--N 1.328 -0.346 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.415 -176.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.18 141.83 47.44 Favored 'Trans proline' 0 N--CA 1.477 0.506 0 C-N-CA 123.952 3.101 . . . . 0.0 113.781 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.686 HD23 ' HB2' ' A' ' 10' ' ' GLN . 58.3 mt -58.51 149.52 25.15 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.239 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 . . . . . 0 C--O 1.249 1.043 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.198 -176.632 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 75.4 p 50.45 -91.12 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.17 0.988 . . . . 0.0 112.712 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -82.39 -33.44 28.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.425 0.631 . . . . 0.0 110.288 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -88.97 122.53 32.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.725 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -128.67 152.53 48.28 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.121 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 37.8 mt -102.27 -172.39 2.13 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.857 -173.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.3 m-30 -102.14 156.01 17.83 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.787 ' HB2' HD11 ' A' ' 63' ' ' LEU . 5.5 m -122.45 146.69 47.14 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.781 -171.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.506 ' HB3' HG22 ' A' ' 60' ' ' VAL . 5.9 m-85 -122.05 151.84 40.43 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.54 ' HB2' HD23 ' A' ' 63' ' ' LEU . 25.9 tt0 -109.1 131.2 55.29 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.602 ' HA ' HG23 ' A' ' 60' ' ' VAL . . . -79.64 139.2 37.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.472 0.653 . . . . 0.0 111.37 -172.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -64.62 -40.2 95.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.168 -173.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CZ ' ' HE2' ' A' ' 59' ' ' TYR . 36.2 p90 -151.74 -179.91 7.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.311 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.9 p -83.76 143.21 30.14 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 123.384 0.427 . . . . 0.0 111.603 -175.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.732 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 74.3 t80 -129.25 142.32 50.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.638 -175.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 50.4 mm -110.55 129.02 24.4 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.299 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.516 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 32.4 Cg_exo -58.73 134.98 64.13 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.465 2.777 . . . . 0.0 113.205 -177.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -88.67 -37.17 15.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 172.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -120.07 167.36 12.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.621 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -79.9 -5.86 56.34 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.33 -33.75 71.86 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.374 169.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.515 ' HA ' ' O ' ' A' ' 54' ' ' THR . 87.8 mt-10 -84.88 162.32 19.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.133 -171.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.666 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 20.4 tp -103.54 145.09 30.53 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.494 -1.23 . . . . 0.0 110.099 -175.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.516 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 7.2 tt0 -81.21 115.29 20.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 172.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.732 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -113.19 135.15 54.13 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.12 -165.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.77 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 22.0 tpt180 -106.9 156.46 18.68 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -59.57 137.23 58.09 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.219 173.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.417 ' HA2' ' HG2' ' A' ' 10' ' ' GLN . . . 64.85 28.11 72.98 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.879 -178.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -95.94 149.16 21.87 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.626 ' CG2' ' HB3' ' A' ' 8' ' ' SER . 2.5 mp -100.31 133.03 44.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 120.935 0.397 . . . . 0.0 110.72 -173.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.803 HG23 ' HA3' ' A' ' 44' ' ' GLY . 3.7 p -111.63 132.84 59.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.537 0.684 . . . . 0.0 111.191 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.611 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 4.1 m-20 -121.59 117.11 25.93 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.402 -1.272 . . . . 0.0 108.392 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.876 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -75.92 119.92 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.857 0.836 . . . . 0.0 112.442 -170.292 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 24.2 mmt -91.27 -32.1 15.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.574 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.559 ' O ' HG23 ' A' ' 43' ' ' VAL . 28.7 tt0 -146.03 146.74 31.08 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 37.0 mtmt -114.15 132.65 56.0 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -173.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 62.6 m -77.16 134.87 38.55 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 161.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.46 -25.13 34.82 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.617 0.573 . . . . 0.0 111.959 -169.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -160.56 81.36 0.67 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.867 0.365 . . . . 0.0 110.43 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.95 -94.57 0.11 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.394 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.435 ' HE3' ' HA ' ' A' ' 56' ' ' PRO . 0.6 OUTLIER -106.84 162.03 14.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.937 0.399 . . . . 0.0 110.914 -171.296 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.56 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 9.4 m-85 -128.2 169.34 14.26 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 174.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.876 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 5.9 t -90.4 169.53 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 175.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.803 ' HA3' HG23 ' A' ' 31' ' ' VAL . . . -162.22 155.46 26.75 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 119.957 -1.116 . . . . 0.0 112.684 -176.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.4 m -110.85 127.1 55.29 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.513 ' HB2' HD21 ' A' ' 23' ' ' LEU . 44.4 t -78.87 133.51 36.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.938 0.399 . . . . 0.0 110.809 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.627 HH11 ' HG3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -77.14 4.51 10.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.678 177.828 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.77 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 65.8 mtp180 -85.35 -70.14 0.61 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.825 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -113.12 12.87 19.22 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.951 -174.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt 53.19 35.87 21.04 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.479 ' HA ' ' OE1' ' A' ' 51' ' ' GLN . 13.6 mm-40 -98.37 164.75 12.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.194 175.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -115.91 108.68 16.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.631 -172.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.666 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.56 154.57 21.8 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.787 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.4 t -101.94 151.42 22.13 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 117.063 0.432 . . . . 0.0 110.545 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.612 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 49.5 p90 -164.86 168.47 8.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 176.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.557 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 69.0 Cg_exo -50.96 134.07 41.65 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.531 2.154 . . . . 0.0 113.738 -175.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.76 -11.04 66.3 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.412 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -94.23 17.81 12.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.671 0.748 . . . . 0.0 109.231 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.546 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 7.6 t80 -120.34 -6.44 9.84 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.228 -173.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.602 HG23 ' HA ' ' A' ' 11' ' ' ALA . 9.1 p -123.8 154.04 30.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.746 -176.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.465 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 10.0 ptmm? -123.61 158.37 59.44 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 120.423 0.154 . . . . 0.0 110.639 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 11.4 Cg_endo -52.74 150.97 20.76 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.304 2.669 . . . . 0.0 112.314 177.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.787 HD11 ' HB2' ' A' ' 8' ' ' SER . 60.9 mt -61.62 161.78 9.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.441 0.638 . . . . 0.0 112.286 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.9 p90 . . . . . 0 C--O 1.248 1.0 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.425 -177.414 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.84 0.352 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -79.85 -54.42 5.84 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -80.46 164.64 22.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.033 172.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -92.18 79.9 5.08 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-O 121.77 0.795 . . . . 0.0 109.149 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -123.8 -151.84 0.49 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.968 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.581 HD21 ' HD3' ' A' ' 36' ' ' LYS . 36.6 mt -61.07 -179.41 0.14 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.829 0.823 . . . . 0.0 111.706 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -141.3 161.61 37.48 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.833 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.536 ' HB2' HD11 ' A' ' 63' ' ' LEU . 7.6 m -84.97 147.81 26.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.055 -176.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.544 ' HB3' HG22 ' A' ' 60' ' ' VAL . 20.3 m-85 -116.66 151.72 35.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.554 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.72 ' HB2' HD23 ' A' ' 63' ' ' LEU . 42.5 tt0 -110.07 128.99 55.75 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 174.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.675 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.62 139.85 37.31 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.449 0.642 . . . . 0.0 111.346 -173.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.564 HD21 ' HD3' ' A' ' 61' ' ' LYS . 13.1 mt -70.34 -37.32 74.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.946 -175.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.495 ' CZ ' ' HE2' ' A' ' 59' ' ' TYR . 46.2 p90 -151.93 -178.83 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.296 178.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.405 ' HB3' ' H ' ' A' ' 27' ' ' ASP . 59.3 p -86.72 140.34 29.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.023 0.44 . . . . 0.0 111.463 -176.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.719 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 60.4 t80 -125.23 139.99 53.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.08 -177.086 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.42 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 42.0 mm -110.36 129.87 23.48 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.07 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.57 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.4 Cg_exo -54.63 133.83 59.03 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.386 2.724 . . . . 0.0 113.23 -175.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -92.24 -34.28 14.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -114.9 160.88 19.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.466 173.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -75.62 -15.47 60.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.079 0.466 . . . . 0.0 110.755 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.86 -13.0 58.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.628 0.728 . . . . 0.0 109.561 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -84.61 172.03 11.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.08 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.646 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 21.6 tp -111.73 142.35 44.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.164 -172.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.57 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.9 tt0 -79.95 116.39 20.07 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 172.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.719 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.1 tm? -113.66 135.25 54.13 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.23 -168.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.662 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 21.1 tpt180 -106.15 155.6 19.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.8 0.333 . . . . 0.0 110.48 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.405 ' H ' ' HB3' ' A' ' 14' ' ' SER . 5.7 p-10 -63.47 134.01 54.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.071 0.462 . . . . 0.0 110.865 174.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.73 33.12 85.91 Favored Glycine 0 N--CA 1.453 -0.201 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.572 -176.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -97.98 141.93 30.33 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 177.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.814 ' HB ' ' HD3' ' A' ' 47' ' ' ARG . 2.6 mp -99.25 127.6 51.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.044 0.449 . . . . 0.0 110.229 -176.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.421 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 7.3 p -119.9 144.04 29.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.233 0.54 . . . . 0.0 111.851 -175.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.574 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 28.6 m-20 -114.14 126.91 55.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.15 173.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.89 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -77.06 123.86 34.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 121.717 0.77 . . . . 0.0 111.467 178.577 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.587 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 21.8 mmt -83.72 -36.95 23.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.355 -1.293 . . . . 0.0 110.404 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 43' ' ' VAL . 30.8 tt0 -148.96 141.21 24.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.607 176.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' HD21 ' A' ' 6' ' ' LEU . 43.1 mtmt -101.55 131.93 47.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.006 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.532 ' HB2' ' HD1' ' A' ' 41' ' ' TRP . 37.4 m -97.36 134.88 40.04 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 171.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -56.88 -31.31 64.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.84 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -56.65 -51.22 69.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.443 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.17 -8.59 0.32 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 119.683 -1.246 . . . . 0.0 114.18 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.712 ' HB3' ' HA ' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -106.38 149.33 27.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.188 0.994 . . . . 0.0 110.745 -179.534 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.498 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 10.6 m-85 -122.62 171.15 9.34 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -177.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.89 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.2 t -90.68 164.33 2.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 172.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.574 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -159.7 156.43 27.61 Favored Glycine 0 C--N 1.31 -0.864 0 C-N-CA 119.466 -1.35 . . . . 0.0 113.763 -171.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -120.95 127.63 51.99 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 173.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.44 ' N ' HD21 ' A' ' 23' ' ' LEU . 47.3 t -85.1 140.76 30.72 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 110.749 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.814 ' HD3' ' HB ' ' A' ' 30' ' ' ILE . 7.6 mtm180 -68.86 -17.2 63.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.394 -178.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.662 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 57.0 mtp180 -78.05 -83.62 0.08 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.009 -173.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.8 t -92.28 11.36 26.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.174 -171.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt 55.54 36.21 26.7 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.405 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -96.36 161.48 13.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -116.6 105.05 12.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.657 -177.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.646 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.18 154.72 21.73 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.398 -177.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.3 t -101.37 150.46 22.99 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 117.133 0.466 . . . . 0.0 110.249 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.513 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 52.3 p90 -165.48 166.29 10.47 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.712 ' HA ' ' HB3' ' A' ' 41' ' ' TRP . 52.9 Cg_exo -52.36 134.23 50.85 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.661 2.241 . . . . 0.0 113.085 -178.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.537 ' H ' ' HA ' ' A' ' 41' ' ' TRP . . . -94.3 -2.84 63.63 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.928 -179.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -101.1 23.98 10.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 122.423 1.106 . . . . 0.0 108.204 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.53 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 5.8 t80 -119.09 -16.69 9.11 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.148 -178.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.629 HG23 ' HA ' ' A' ' 11' ' ' ALA . 10.7 p -119.89 150.33 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.019 -177.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.564 ' HD3' HD21 ' A' ' 12' ' ' LEU . 41.4 mtpt -120.83 156.45 56.38 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -174.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 61' ' ' LYS . 16.1 Cg_endo -54.1 148.29 40.36 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 124.061 3.174 . . . . 0.0 112.855 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.72 HD23 ' HB2' ' A' ' 10' ' ' GLN . 79.6 mt -61.75 128.61 37.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.207 176.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 p90 . . . . . 0 N--CA 1.436 -1.14 0 CA-C-O 118.537 -0.744 . . . . 0.0 110.832 -179.284 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.5 m 72.49 -57.86 0.61 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.582 0.551 . . . . 0.0 109.673 -172.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m -94.24 141.3 28.71 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -60.58 118.5 6.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.369 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -77.25 151.39 35.14 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 172.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.0 mt -99.04 -176.06 3.21 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.772 -176.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -100.63 156.2 17.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.425 -170.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.423 ' HB2' HD11 ' A' ' 63' ' ' LEU . 6.2 m -93.54 145.79 24.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.441 -178.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.531 ' HB3' HG22 ' A' ' 60' ' ' VAL . 12.2 m-85 -129.32 154.91 46.41 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.596 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.642 ' HB2' HD23 ' A' ' 63' ' ' LEU . 43.8 tt0 -109.02 128.38 54.9 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.774 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -80.39 139.37 36.55 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.521 -172.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.607 HD21 ' HD3' ' A' ' 61' ' ' LYS . 14.2 mt -75.21 -31.84 61.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.69 -174.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -144.67 179.23 7.43 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.43 -175.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.1 m -91.0 136.19 33.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.85 0.357 . . . . 0.0 110.306 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.756 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 52.3 t80 -109.11 133.44 53.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.101 -177.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 45.7 mm -108.5 118.46 52.02 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 173.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 51.6 Cg_exo -54.95 132.93 55.14 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 123.42 2.747 . . . . 0.0 113.229 -175.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -76.98 -32.15 57.03 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 174.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -133.18 155.23 49.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.069 -1.423 . . . . 0.0 107.558 169.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -72.7 -8.49 55.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.668 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -62.32 -29.23 70.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.627 0.727 . . . . 0.0 109.076 169.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.529 ' HA ' ' O ' ' A' ' 54' ' ' THR . 22.8 mt-10 -83.54 158.29 22.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.375 177.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.789 HD11 ' HG3' ' A' ' 51' ' ' GLN . 16.7 tp -91.97 135.2 34.14 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.844 -173.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.493 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 6.4 tt0 -77.21 115.16 16.76 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 172.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.774 HD11 ' CB ' ' A' ' 11' ' ' ALA . 2.8 tm? -114.2 136.14 53.28 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.786 -166.206 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.411 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 9.5 tpt180 -104.87 151.57 23.68 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.731 0.301 . . . . 0.0 110.282 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -56.86 133.95 54.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.582 0.705 . . . . 0.0 111.464 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.31 27.45 72.45 Favored Glycine 0 C--N 1.32 -0.346 0 CA-C-N 115.034 -0.984 . . . . 0.0 113.006 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -89.91 142.65 27.5 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.636 ' HB ' ' HD3' ' A' ' 47' ' ' ARG . 3.0 mp -99.46 122.48 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.443 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 11.0 p -112.96 147.24 16.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.478 -174.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.483 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 17.4 m-20 -120.78 127.69 52.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.121 174.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.851 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.96 123.4 33.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 122.002 0.906 . . . . 0.0 112.315 -177.359 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.634 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 96.2 mmm -82.16 -36.41 27.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 113.848 -1.524 . . . . 0.0 110.429 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.519 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 8.1 tp10 -146.45 138.01 24.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.151 176.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.65 ' HD2' ' H ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -100.83 121.92 42.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.463 -177.162 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.9 m -104.09 133.46 49.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.875 0.369 . . . . 0.0 110.421 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.29 -10.57 43.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.571 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -76.96 -12.25 59.92 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.288 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.5 -2.12 23.49 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.286 -0.959 . . . . 0.0 113.493 174.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 3.6 p90 -121.44 154.3 36.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 117.681 0.741 . . . . 0.0 110.062 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.51 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 12.3 m-85 -123.52 164.33 19.19 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.851 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.7 t -90.49 155.93 3.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 171.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.483 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -152.63 153.9 25.17 Favored Glycine 0 C--N 1.302 -1.32 0 C-N-CA 119.557 -1.306 . . . . 0.0 113.069 -172.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 m -112.98 128.06 56.4 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.6 t -87.35 139.94 30.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.114 0.483 . . . . 0.0 110.507 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.636 ' HD3' ' HB ' ' A' ' 30' ' ' ILE . 46.2 mtm180 -73.75 -9.31 58.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.703 -176.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.411 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 72.5 mtp180 -66.34 -53.45 36.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.695 -172.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -138.64 19.93 2.7 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.483 0.658 . . . . 0.0 110.304 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 59.18 42.97 17.82 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.831 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.789 ' HG3' HD11 ' A' ' 23' ' ' LEU . 26.7 pt20 -96.43 156.17 16.45 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.496 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -117.22 113.01 21.6 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.072 0.463 . . . . 0.0 110.87 -171.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.609 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.41 150.24 20.2 Favored Glycine 0 C--O 1.221 -0.693 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.882 178.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.612 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.0 t -101.53 144.41 30.33 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 117.402 0.601 . . . . 0.0 110.422 178.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.443 ' CZ ' HG21 ' A' ' 31' ' ' VAL . 50.6 p90 -163.6 161.3 17.57 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 41' ' ' TRP . 43.6 Cg_exo -56.06 134.06 61.86 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 122.718 2.278 . . . . 0.0 112.485 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.32 -5.79 88.44 Favored Glycine 0 C--O 1.227 -0.315 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.139 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -92.21 25.72 2.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.344 0.592 . . . . 0.0 110.02 -178.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -125.86 -7.64 6.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.823 0.82 . . . . 0.0 109.336 -175.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.545 HG23 ' HA ' ' A' ' 11' ' ' ALA . 8.8 p -120.45 154.99 23.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.591 -175.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.607 ' HD3' HD21 ' A' ' 12' ' ' LEU . 40.1 mtpt -122.43 155.17 62.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -177.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -54.6 147.63 47.97 Favored 'Trans proline' 0 N--CA 1.473 0.304 0 C-N-CA 124.137 3.225 . . . . 0.0 113.565 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.642 HD23 ' HB2' ' A' ' 10' ' ' GLN . 52.2 mt -66.35 170.63 5.73 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.039 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.8 p90 . . . . . 0 C--O 1.244 0.791 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.011 174.868 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.9 p 39.17 48.17 1.5 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.913 0.885 . . . . 0.0 112.784 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 m -112.29 175.64 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.566 178.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -70.43 118.75 13.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.979 0.419 . . . . 0.0 110.134 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.21 149.67 49.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.457 -0.792 . . . . 0.0 108.963 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 6' ' ' LEU . 35.5 mt -85.74 -154.15 0.2 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.092 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.424 ' H ' ' HB3' ' A' ' 6' ' ' LEU . 2.3 m-85 -98.23 142.77 29.48 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.2 m -121.8 145.47 48.03 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 121.396 0.617 . . . . 0.0 110.657 -173.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.588 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 23.8 m-85 -133.49 155.3 49.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.543 -176.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -109.21 130.11 55.49 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.645 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.46 138.97 37.77 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.533 0.682 . . . . 0.0 111.64 -171.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.473 HD21 ' HB3' ' A' ' 61' ' ' LYS . 14.5 mt -73.88 -33.8 64.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.299 -175.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -144.23 158.16 43.88 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.508 -174.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 m -73.61 135.37 43.83 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.531 174.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.733 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 50.5 t80 -121.72 133.27 54.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.964 -177.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.6 mm -103.23 127.54 29.51 Favored Pre-proline 0 C--N 1.313 -0.996 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.407 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.548 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 32.2 Cg_exo -54.91 132.91 54.91 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.965 2.443 . . . . 0.0 112.917 -175.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -93.11 -35.31 13.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 173.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.583 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 5.4 m-20 -116.88 152.22 34.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.559 -1.201 . . . . 0.0 108.583 176.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.88 1.81 25.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.012 0.435 . . . . 0.0 111.209 -178.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -88.49 -14.17 38.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.757 0.789 . . . . 0.0 108.934 170.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.583 ' HG3' ' HB2' ' A' ' 19' ' ' ASN . 84.1 mt-10 -88.05 171.87 9.96 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.357 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.678 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 16.7 tp -109.35 143.32 39.05 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.52 -172.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.548 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.1 tt0 -78.18 115.04 17.62 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 168.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.733 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -115.73 136.0 53.49 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.22 -167.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' A' ' 26' ' ' ARG . 17.3 mmt180 -116.07 152.26 33.94 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.281 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -58.11 134.45 56.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.428 0.632 . . . . 0.0 110.569 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.26 35.62 60.28 Favored Glycine 0 C--N 1.317 -0.504 0 CA-C-N 115.081 -0.963 . . . . 0.0 112.668 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -108.41 148.7 29.77 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 175.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.588 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -99.82 134.73 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.862 0.363 . . . . 0.0 110.389 -174.214 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.477 HG23 ' HA3' ' A' ' 44' ' ' GLY . 7.1 p -110.16 141.65 24.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-O 121.241 0.543 . . . . 0.0 111.287 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.641 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 32.7 t70 -133.09 119.2 19.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.285 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.887 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -75.97 124.12 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 122.054 0.93 . . . . 0.0 113.109 -168.035 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.465 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 12.8 mmt -91.27 -32.5 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 113.98 -1.463 . . . . 0.0 110.065 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -155.04 142.27 19.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.231 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.78 127.61 55.85 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.26 0.552 . . . . 0.0 112.276 -175.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.2 m -90.18 145.39 25.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -60.63 -24.58 65.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.732 -168.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.74 -23.26 53.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.397 . . . . 0.0 111.165 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.13 14.1 5.65 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.362 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -95.66 121.46 37.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.404 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 6.0 m-85 -114.65 159.95 19.9 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.2 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.887 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 11.3 t -91.1 155.89 3.04 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.864 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 173.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.641 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -155.93 154.87 25.86 Favored Glycine 0 C--N 1.298 -1.538 0 C-N-CA 120.007 -1.092 . . . . 0.0 112.322 -171.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 7.4 m -108.1 127.26 53.64 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.618 ' HB2' HD21 ' A' ' 23' ' ' LEU . 45.1 t -79.01 134.58 36.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.11 0.481 . . . . 0.0 110.786 -177.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.464 HH22 ' HB2' ' A' ' 32' ' ' ASP . 2.5 mpt_? -67.16 -9.45 40.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.671 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -77.89 -81.98 0.09 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.484 -177.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.6 t -95.63 8.81 42.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.498 -173.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.3 mptt 57.72 29.86 18.0 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 178.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -99.14 161.33 13.68 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.158 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.503 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 13.8 p90 -117.57 122.05 42.61 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.805 0.812 . . . . 0.0 110.346 -175.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.678 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -137.69 156.51 23.69 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.411 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.765 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 10.9 t -101.31 144.17 30.48 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 117.646 0.723 . . . . 0.0 111.08 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.473 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 50.2 p90 -160.05 165.2 18.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.872 177.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.455 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 32.5 Cg_exo -56.67 133.67 59.5 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.531 2.154 . . . . 0.0 113.236 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.87 -6.63 85.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.507 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -92.43 11.09 27.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.372 0.606 . . . . 0.0 110.122 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -117.92 0.12 11.83 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 122.519 1.152 . . . . 0.0 108.846 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.602 HG23 ' HA ' ' A' ' 11' ' ' ALA . 9.7 p -123.82 155.91 30.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.715 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' HB3' HD21 ' A' ' 12' ' ' LEU . 8.0 ptmm? -119.87 154.02 55.07 Favored Pre-proline 0 C--O 1.222 -0.365 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.931 -178.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -55.65 146.62 64.15 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.571 2.847 . . . . 0.0 112.974 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.556 HD21 HG13 ' A' ' 30' ' ' ILE . 69.4 mt -64.75 150.19 47.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.278 175.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.6 p90 . . . . . 0 N--CA 1.44 -0.973 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.385 -178.802 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.555 0.217 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.4 m -69.32 105.36 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 174.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -122.67 166.92 14.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.21 -173.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 72.48 130.89 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 124.029 0.831 . . . . 0.0 112.275 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -98.31 -174.4 2.83 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.127 174.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.8 mt -80.05 -173.74 4.1 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.182 0.515 . . . . 0.0 110.166 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -127.47 159.71 33.7 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.87 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m -122.77 144.19 49.34 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.237 177.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.605 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 9.8 m-85 -126.63 155.05 43.15 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.699 -176.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.519 ' HB2' HD23 ' A' ' 63' ' ' LEU . 34.6 tt0 -109.72 129.43 55.61 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.745 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.97 138.97 37.19 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.503 0.668 . . . . 0.0 111.535 -171.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.06 -36.67 72.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.554 -176.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.478 ' HA ' ' OD2' ' A' ' 27' ' ' ASP . 89.3 m-85 -147.05 179.96 7.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.077 -176.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.514 ' HB3' ' H ' ' A' ' 27' ' ' ASP . 19.8 p -95.88 135.33 37.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.334 0.588 . . . . 0.0 111.753 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.753 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 65.4 t80 -110.78 137.25 48.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.172 -177.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 50.5 mm -105.62 125.09 34.22 Favored Pre-proline 0 C--N 1.318 -0.803 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 175.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.1 Cg_exo -58.61 133.44 54.33 Favored 'Trans proline' 0 N--CA 1.472 0.211 0 C-N-CA 123.078 2.519 . . . . 0.0 113.128 -176.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -81.56 -45.85 15.29 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 172.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -113.94 166.9 11.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.129 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.81 -15.04 61.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.003 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.465 ' O ' HG22 ' A' ' 54' ' ' THR . 28.8 m-20 -73.68 -23.72 59.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.729 176.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 54' ' ' THR . 17.9 mt-10 -82.94 163.1 21.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.266 -177.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.646 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 20.4 tp -105.33 143.46 33.47 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.238 -176.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.9 tt0 -77.21 115.13 16.73 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 172.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.753 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 1.7 tm? -108.67 136.63 47.94 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -170.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.456 ' HA ' ' CB ' ' A' ' 14' ' ' SER . 28.0 mmt180 -117.8 153.86 32.74 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 120.514 -0.475 . . . . 0.0 110.889 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.514 ' H ' ' HB3' ' A' ' 14' ' ' SER . 4.2 m-20 -53.25 131.94 38.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.369 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.61 38.04 95.74 Favored Glycine 0 CA--C 1.518 0.249 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.91 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.438 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 40.6 t0 -101.69 148.49 25.2 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 175.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.605 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.8 mp -99.48 133.8 41.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.952 0.406 . . . . 0.0 110.042 -175.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.482 ' HB ' ' HZ ' ' A' ' 55' ' ' PHE . 5.1 p -110.5 137.35 43.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.527 0.679 . . . . 0.0 111.05 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.614 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 18.3 t70 -124.8 116.33 22.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.128 175.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.89 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -75.96 123.26 31.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.896 0.855 . . . . 0.0 112.703 -169.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.8 mmm -87.52 -32.67 19.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.502 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.456 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 32.1 tt0 -151.92 142.51 22.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.858 -176.069 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -108.54 132.18 54.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.928 0.394 . . . . 0.0 111.912 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.9 m -98.93 125.59 44.4 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 165.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.72 -17.14 60.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.028 0.442 . . . . 0.0 111.579 -172.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.83 -13.89 58.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.908 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.21 -20.82 3.53 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 119.818 -1.182 . . . . 0.0 114.336 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -80.41 136.75 36.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.309 0.554 . . . . 0.0 110.64 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.445 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 8.9 m-85 -123.25 159.61 28.37 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 169.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.89 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 12.1 t -91.56 164.55 2.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 173.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.614 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -162.73 155.24 26.49 Favored Glycine 0 C--N 1.304 -1.208 0 C-N-CA 119.838 -1.173 . . . . 0.0 112.755 -173.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -110.2 127.05 54.74 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 175.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.517 ' HB3' HG22 ' A' ' 49' ' ' THR . 31.0 t -79.64 139.53 37.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 111.497 -177.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.465 ' HD3' ' O ' ' A' ' 30' ' ' ILE . 7.7 mpt_? -73.16 -11.84 60.67 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.709 177.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.429 ' HE ' ' HB3' ' A' ' 48' ' ' ARG . 23.2 mtp180 -100.7 -67.8 0.84 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.906 0.384 . . . . 0.0 111.907 -178.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.517 HG22 ' HB3' ' A' ' 46' ' ' SER . 13.4 t -76.85 -7.94 56.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.833 -172.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt 56.54 29.01 14.74 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.98 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -113.32 167.26 10.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.645 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -114.95 102.55 10.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.569 -172.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.646 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -133.45 153.33 20.76 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.584 -175.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.771 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.0 t -101.99 145.45 29.27 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.482 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 50.6 p90 -159.83 164.87 19.1 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.693 176.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 51.5 Cg_exo -54.41 132.79 52.87 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.229 1.953 . . . . 0.0 112.529 -178.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.8 22.7 34.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.696 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -127.39 21.93 6.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.895 0.855 . . . . 0.0 109.15 176.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -115.73 -4.22 12.18 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.698 HG23 ' HA ' ' A' ' 11' ' ' ALA . 12.4 p -121.28 155.17 25.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.269 -176.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.444 ' HE2' ' HB2' ' A' ' 61' ' ' LYS . 8.8 ptmm? -119.14 153.6 53.18 Favored Pre-proline 0 C--O 1.223 -0.341 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.221 -176.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.05 148.7 57.04 Favored 'Trans proline' 0 N--CA 1.474 0.377 0 C-N-CA 123.686 2.924 . . . . 0.0 113.114 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.519 HD23 ' HB2' ' A' ' 10' ' ' GLN . 69.0 mt -67.69 151.38 47.35 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.477 177.13 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--O 1.251 1.17 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.86 177.771 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 120.945 0.403 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -102.13 -6.96 22.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.297 0.57 . . . . 0.0 110.252 175.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 p -90.59 162.92 14.77 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.287 177.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.5 pm0 -132.1 153.58 50.33 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -84.3 -162.51 0.67 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 mt -70.52 175.21 4.98 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 121.593 0.711 . . . . 0.0 111.129 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.414 ' HD1' ' HE1' ' A' ' 9' ' ' TYR . 1.5 p90 -110.71 138.96 46.45 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.589 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.549 ' HB3' ' CG2' ' A' ' 30' ' ' ILE . 14.6 m -115.34 147.88 39.95 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.854 -173.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.522 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 9.4 m-85 -124.05 154.04 40.48 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.642 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.472 ' HB2' HD23 ' A' ' 63' ' ' LEU . 29.3 tt0 -109.47 129.11 55.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.638 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.74 137.64 37.07 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.546 0.689 . . . . 0.0 111.102 -175.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.29 -40.51 97.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.356 -1.293 . . . . 0.0 111.659 -173.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.414 ' CZ ' ' HE1' ' A' ' 59' ' ' TYR . 42.0 p90 -151.32 -179.94 7.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.423 -177.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.6 p -83.45 137.82 33.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.025 0.44 . . . . 0.0 110.583 -178.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.719 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 53.8 t80 -125.68 137.28 53.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.202 -176.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 49.2 mm -108.43 129.58 23.84 Favored Pre-proline 0 C--N 1.315 -0.901 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.559 -179.2 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.57 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 31.5 Cg_exo -55.67 132.59 53.02 Favored 'Trans proline' 0 CA--C 1.52 -0.221 0 C-N-CA 122.962 2.442 . . . . 0.0 112.719 -175.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -87.88 -36.6 17.09 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 175.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -118.42 160.56 21.48 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.885 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -73.81 -13.69 60.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.88 0.372 . . . . 0.0 111.472 -175.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.37 -13.57 49.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.048 0.451 . . . . 0.0 110.593 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -83.98 166.84 17.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.561 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.67 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 17.4 tp -99.14 136.5 39.01 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.801 -173.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.57 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 8.1 tt0 -78.09 114.51 17.04 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 170.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.719 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -114.89 135.55 54.07 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.117 -164.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 28.6 mmt180 -110.14 152.54 25.91 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.437 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -60.15 131.56 51.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.211 0.529 . . . . 0.0 111.294 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.24 30.65 71.62 Favored Glycine 0 C--N 1.323 -0.189 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.577 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -91.76 145.33 24.66 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 175.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.549 ' CG2' ' HB3' ' A' ' 8' ' ' SER . 2.3 mp -99.43 129.95 49.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -178.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.479 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 7.3 p -119.5 144.17 28.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.174 0.511 . . . . 0.0 111.685 -176.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.533 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 29.4 m-20 -124.1 132.71 53.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.509 174.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.88 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.68 120.15 26.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 122.184 0.993 . . . . 0.0 111.491 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.77 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 85.3 mtp -83.03 -43.87 15.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 113.576 -1.647 . . . . 0.0 109.663 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.529 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 7.8 tp10 -141.34 147.34 37.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.079 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -107.79 128.69 54.82 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.871 -175.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.2 m -80.24 145.45 32.2 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 165.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -60.03 -19.55 53.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.283 -170.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -163.09 79.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.16 -86.14 0.15 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 119.674 -1.25 . . . . 0.0 114.23 170.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.443 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 11.2 m0 -84.53 146.85 27.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.323 0.583 . . . . 0.0 111.85 -170.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.512 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 13.9 m-85 -123.52 162.47 22.86 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 168.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.88 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.7 t -91.07 153.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 175.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -144.63 155.33 26.33 Favored Glycine 0 C--N 1.304 -1.206 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.756 -169.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.0 m -124.61 126.65 46.11 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.642 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.472 ' HB3' ' HG2' ' A' ' 48' ' ' ARG . 31.5 m -83.81 139.91 32.38 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -62.57 -18.27 61.77 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 114.935 -1.03 . . . . 0.0 113.558 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.784 ' HG3' HG22 ' A' ' 49' ' ' THR . 16.7 ptm180 -61.3 -48.9 79.25 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -174.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.784 HG22 ' HG3' ' A' ' 48' ' ' ARG . 13.3 t -152.33 20.34 0.65 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.847 0.356 . . . . 0.0 111.378 -173.486 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm 55.72 35.0 24.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.416 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.604 ' HG3' HD11 ' A' ' 23' ' ' LEU . 13.6 pt20 -81.86 152.91 26.65 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 174.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.654 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 14.3 p90 -120.56 119.22 32.3 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-O 121.933 0.873 . . . . 0.0 110.75 -170.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.67 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.71 150.65 20.62 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.782 177.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 6.3 t -102.02 143.96 31.22 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 117.379 0.59 . . . . 0.0 110.685 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.479 ' CZ ' HG21 ' A' ' 31' ' ' VAL . 52.2 p90 -164.16 164.88 13.86 Favored Pre-proline 0 CA--C 1.531 0.225 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.937 177.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 36.1 Cg_exo -57.78 134.11 60.62 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.47 2.114 . . . . 0.0 112.722 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.96 -2.66 89.52 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.132 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -92.94 15.79 14.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.287 0.565 . . . . 0.0 109.75 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.414 ' HE1' ' CZ ' ' A' ' 13' ' ' TYR . 2.9 t80 -114.79 -13.33 12.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.985 -174.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.611 HG23 ' HA ' ' A' ' 11' ' ' ALA . 12.6 p -119.12 153.01 21.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.347 -173.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.483 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 8.6 ptmm? -117.75 156.66 49.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.236 -174.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 14.3 Cg_endo -54.66 148.71 43.45 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 123.525 2.817 . . . . 0.0 112.703 177.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 8' ' ' SER . 67.9 mt -62.19 140.58 58.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.302 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--O 1.248 0.997 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.858 178.206 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.702 ' HB2' HD11 ' A' ' 63' ' ' LEU . 4.2 m . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.587 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 15.2 m-85 -125.35 153.08 43.88 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.303 -178.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -108.28 127.9 54.27 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 176.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.757 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.55 139.22 37.6 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.94 -171.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.2 -42.0 89.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.809 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.407 ' CZ ' ' HE2' ' A' ' 59' ' ' TYR . 35.5 p90 -152.07 -179.48 7.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.007 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.475 ' HB3' ' H ' ' A' ' 27' ' ' ASP . 29.8 p -83.54 150.16 26.13 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.344 0.592 . . . . 0.0 111.78 -176.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.655 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 58.4 t80 -134.18 137.5 44.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.866 -174.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.6 mm -107.27 128.08 26.68 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.554 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 31.0 Cg_exo -59.74 132.67 46.69 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.667 2.245 . . . . 0.0 112.378 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -104.37 -29.62 10.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.152 0.977 . . . . 0.0 108.843 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -113.73 151.63 31.65 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.033 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -73.73 0.12 13.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.841 0.353 . . . . 0.0 111.196 -177.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.526 ' O ' HG22 ' A' ' 54' ' ' THR . 10.6 m-20 -97.73 -14.34 20.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.577 175.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -83.88 169.65 14.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.468 0.651 . . . . 0.0 111.725 -176.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.713 HD11 ' HG3' ' A' ' 51' ' ' GLN . 19.6 tp -110.61 140.85 44.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.626 -174.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.554 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.6 tt0 -77.92 116.02 18.1 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 172.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.757 HD11 ' CB ' ' A' ' 11' ' ' ALA . 1.1 tm? -110.28 135.68 50.64 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.747 -170.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.582 ' N ' HD13 ' A' ' 25' ' ' LEU . 26.1 mmt180 -116.13 146.5 42.21 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.754 0.312 . . . . 0.0 110.18 176.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.475 ' H ' ' HB3' ' A' ' 14' ' ' SER . 0.8 OUTLIER -50.64 124.17 10.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.42 -176.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.24 30.44 60.76 Favored Glycine 0 C--O 1.228 -0.239 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.984 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -88.75 150.96 22.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.587 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.4 mp -100.11 139.56 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.0 141.7 45.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.366 0.603 . . . . 0.0 111.41 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.538 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 3.6 m-20 -125.51 126.26 44.58 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.726 -1.124 . . . . 0.0 108.663 174.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.831 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.32 126.54 37.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 122.117 0.96 . . . . 0.0 112.611 -171.465 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.793 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 93.4 mmm -81.25 -37.21 28.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.024 177.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -158.84 142.15 14.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.173 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.656 ' H ' ' HD2' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -91.53 128.05 37.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.974 -179.666 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.8 m -95.12 131.66 40.89 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 172.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -70.09 -12.42 61.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.392 -173.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -78.51 -12.99 60.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.88 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.08 -14.0 4.92 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 119.481 -1.342 . . . . 0.0 115.349 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.461 ' HB3' ' HA ' ' A' ' 56' ' ' PRO . 3.9 p90 -113.98 163.48 15.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.795 1.298 . . . . 0.0 110.636 -176.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.45 ' CE2' ' HA3' ' A' ' 57' ' ' GLY . 8.4 m-85 -124.55 166.49 15.97 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.831 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.3 t -90.64 155.73 3.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 169.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.538 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -156.46 153.48 24.75 Favored Glycine 0 C--N 1.303 -1.251 0 C-N-CA 119.371 -1.395 . . . . 0.0 113.068 -174.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 9.4 m -110.76 128.96 55.94 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.407 ' HB2' HD21 ' A' ' 23' ' ' LEU . 35.1 t -78.77 139.64 38.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.339 0.59 . . . . 0.0 110.912 -178.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.55 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -70.67 -10.67 59.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.254 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -72.89 -88.37 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.179 0.514 . . . . 0.0 111.346 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.531 HG23 ' HG2' ' A' ' 51' ' ' GLN . 2.6 t -98.15 15.9 22.91 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.528 -175.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm 60.73 33.16 20.25 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.362 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.713 ' HG3' HD11 ' A' ' 23' ' ' LEU . 11.2 pt20 -92.72 153.32 19.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.222 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.507 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 6.0 p90 -117.13 121.01 40.08 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.728 0.775 . . . . 0.0 110.283 -176.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.655 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.5 156.96 23.36 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 114.749 -1.114 . . . . 0.0 111.448 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.616 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.8 t -101.69 143.94 31.01 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 117.675 0.737 . . . . 0.0 110.731 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.506 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 50.1 p90 -166.59 166.54 8.92 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.9 177.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.506 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 53.1 Cg_exo -52.86 133.78 52.36 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.666 2.244 . . . . 0.0 112.938 -178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.45 ' HA3' ' CE2' ' A' ' 42' ' ' PHE . . . -87.36 -9.11 73.33 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.789 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -99.46 11.39 39.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.03 0.919 . . . . 0.0 109.006 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.546 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 3.5 t80 -100.24 -11.22 20.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.374 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.699 HG23 ' HA ' ' A' ' 11' ' ' ALA . 13.5 p -120.22 156.8 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.923 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.603 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.493 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 15.3 ptmt -120.97 160.74 43.71 Favored Pre-proline 0 C--N 1.324 -0.503 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.654 -176.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.493 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 11.3 Cg_endo -52.26 142.9 44.85 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.16 2.573 . . . . 0.0 111.558 175.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 8' ' ' SER . 82.4 mt -47.38 127.95 11.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.677 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.251 1.133 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.445 -175.577 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.526 ' HB3' HG22 ' A' ' 60' ' ' VAL . 13.4 m-85 -126.34 154.89 42.89 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -177.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.482 ' HB2' HD23 ' A' ' 63' ' ' LEU . 29.7 tt0 -108.94 126.16 52.79 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.667 ' HA ' HG23 ' A' ' 60' ' ' VAL . . . -79.53 133.86 36.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.493 0.664 . . . . 0.0 110.753 -174.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.511 HD21 ' CD ' ' A' ' 61' ' ' LYS . 16.7 mt -65.56 -36.96 85.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.529 -171.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -150.36 169.01 22.42 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.23 -176.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.7 p -78.13 143.03 37.64 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.902 0.382 . . . . 0.0 110.223 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.583 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 5.6 t80 -130.93 130.09 43.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 -172.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 51.5 mm -94.48 127.16 45.12 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 52.2 Cg_exo -52.44 135.97 55.45 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.561 2.841 . . . . 0.0 113.353 -176.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -87.34 -36.55 17.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -122.24 158.99 28.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.983 178.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -74.75 -9.68 58.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -82.34 -17.31 46.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.104 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -93.29 171.66 8.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.577 0.704 . . . . 0.0 111.567 -173.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.685 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 23.6 tp -98.4 142.7 29.71 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.845 -174.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.527 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 7.0 tt0 -77.36 115.45 17.15 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 169.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.666 HD11 ' CB ' ' A' ' 11' ' ' ALA . 2.0 tm? -102.0 135.92 42.73 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.961 -170.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.516 ' HB2' ' HD3' ' A' ' 48' ' ' ARG . 25.6 mmt180 -119.58 148.16 43.64 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.12 137.4 58.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.233 0.54 . . . . 0.0 111.834 -173.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.39 24.53 76.79 Favored Glycine 0 CA--C 1.509 -0.304 0 CA-C-N 114.867 -1.06 . . . . 0.0 112.707 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.499 ' HB2' ' O ' ' A' ' 26' ' ' ARG . 7.8 t0 -88.3 142.23 27.91 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.552 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 2.5 mp -98.65 129.25 49.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.45 HG23 ' HA3' ' A' ' 44' ' ' GLY . 3.3 p -109.52 135.07 49.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-O 121.551 0.691 . . . . 0.0 111.191 -176.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.472 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 3.8 m-20 -121.05 124.68 45.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.787 174.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.902 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -76.38 120.57 26.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.708 0.766 . . . . 0.0 112.008 -175.118 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.682 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 22.8 mmt -82.72 -36.7 25.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.172 178.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.5 ' O ' HG23 ' A' ' 43' ' ' VAL . 7.5 tp10 -156.55 152.97 27.96 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -98.41 124.95 43.38 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.149 0.5 . . . . 0.0 111.254 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.8 m -82.46 135.97 35.01 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -61.4 -21.38 64.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.734 -173.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -63.21 -33.31 75.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 0.0 110.703 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.93 -0.14 7.14 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.276 -175.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.446 ' CE3' ' HA ' ' A' ' 56' ' ' PRO . 4.7 m95 -93.14 162.12 14.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.504 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 5.8 m-85 -127.37 162.47 26.23 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 176.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.902 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.9 t -89.23 151.63 3.45 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.718 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -150.27 155.65 26.32 Favored Glycine 0 C--N 1.304 -1.24 0 C-N-CA 119.858 -1.163 . . . . 0.0 112.95 -170.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.1 m -115.99 127.84 55.25 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.752 -0.263 . . . . 0.0 110.59 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 11.4 t -79.1 129.56 34.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.149 0.499 . . . . 0.0 110.837 178.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.583 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -79.75 -22.17 43.58 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.288 176.658 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.516 ' HD3' ' HB2' ' A' ' 26' ' ' ARG . 40.5 mtp180 -87.11 -40.87 14.25 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.495 -174.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.6 t -110.48 2.98 19.19 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.726 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 46' ' ' SER . 68.6 mmtt 51.02 41.09 26.94 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 176.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -118.87 161.16 20.63 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -117.39 117.22 28.9 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.869 0.843 . . . . 0.0 110.134 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.685 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.92 157.24 23.65 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.551 -179.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.583 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.8 t -101.55 143.22 31.8 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 117.508 0.654 . . . . 0.0 110.612 178.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.509 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 52.3 p90 -164.9 168.02 9.2 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.476 -177.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.509 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 52.3 Cg_exo -54.55 134.08 60.08 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.331 2.021 . . . . 0.0 113.248 -178.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.85 -7.95 59.59 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.044 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -94.35 26.35 3.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.688 0.756 . . . . 0.0 109.437 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -123.57 -10.58 7.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.086 -175.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.667 HG23 ' HA ' ' A' ' 11' ' ' ALA . 14.0 p -118.31 156.5 20.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.319 -171.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.511 ' CD ' HD21 ' A' ' 12' ' ' LEU . 33.0 mtpt -116.48 153.07 48.83 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.925 0.393 . . . . 0.0 111.747 -176.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -56.72 147.93 68.6 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.743 2.962 . . . . 0.0 112.103 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' A' ' 10' ' ' GLN . 80.8 mt -60.02 126.95 29.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.41 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.5 t80 . . . . . 0 C--O 1.25 1.13 0 O-C-N 124.668 1.23 . . . . 0.0 112.244 -177.33 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.719 ' HB2' HD11 ' A' ' 63' ' ' LEU . 3.5 m . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.601 ' HB3' HG22 ' A' ' 60' ' ' VAL . 35.0 m-85 -127.88 154.76 45.13 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.617 ' HB2' HD23 ' A' ' 63' ' ' LEU . 45.9 tt0 -109.34 127.28 54.2 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.703 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -80.02 138.45 37.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.493 0.663 . . . . 0.0 112.041 -170.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.445 HD21 ' HB3' ' A' ' 61' ' ' LYS . 10.6 mt -72.92 -36.01 67.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.821 -176.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -140.38 172.78 12.24 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.451 -174.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.5 p -92.28 133.9 35.41 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.404 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.748 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 36.7 t80 -108.94 129.17 55.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.381 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 49.7 mm -103.8 125.55 34.35 Favored Pre-proline 0 C--N 1.315 -0.894 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.52 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.1 Cg_exo -57.13 133.0 54.81 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 123.052 2.501 . . . . 0.0 113.112 -176.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -92.45 -41.66 10.17 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 172.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -114.38 159.02 20.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.06 -1.427 . . . . 0.0 108.623 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.09 -14.84 61.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.349 0.595 . . . . 0.0 109.692 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.428 ' O ' HG22 ' A' ' 54' ' ' THR . 24.8 m-20 -71.54 -24.58 61.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.941 174.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -84.63 158.9 20.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.3 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.656 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 21.6 tp -101.9 145.8 28.72 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.504 -174.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.52 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.7 tt0 -77.8 115.04 17.24 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 170.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.748 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 2.6 tm? -111.89 134.85 53.18 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -173.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.436 ' HG3' ' CD ' ' A' ' 48' ' ' ARG . 16.5 mmt180 -112.94 157.73 21.11 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.122 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -58.59 132.95 55.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.178 0.514 . . . . 0.0 110.438 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.51 30.97 78.74 Favored Glycine 0 C--N 1.319 -0.375 0 CA-C-N 115.273 -0.876 . . . . 0.0 113.249 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -93.26 150.07 20.76 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.586 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 2.4 mp -100.0 134.44 39.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -176.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.494 ' HB ' ' HZ ' ' A' ' 55' ' ' PHE . 2.8 p -111.11 128.5 67.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.646 0.736 . . . . 0.0 111.487 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -115.76 120.44 39.32 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.527 -1.215 . . . . 0.0 108.181 171.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.887 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.29 122.1 29.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 122.018 0.913 . . . . 0.0 112.653 -172.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.678 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 94.8 mmm -81.82 -41.3 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 113.559 -1.655 . . . . 0.0 109.946 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.432 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 27.3 tt0 -144.92 145.39 31.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.71 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 34.0 mtmt -105.17 127.48 52.93 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.844 -171.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.645 ' HB2' ' O ' ' A' ' 41' ' ' TRP . 69.1 m -87.21 141.8 28.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 167.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.19 -5.97 31.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.454 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -165.9 93.66 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.654 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.97 -72.17 0.47 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.109 -1.043 . . . . 0.0 114.562 165.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.645 ' O ' ' HB2' ' A' ' 37' ' ' CYS . 16.0 m0 -104.85 152.05 23.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.159 0.504 . . . . 0.0 111.425 -170.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.457 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 13.5 m-85 -123.84 163.36 21.4 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 163.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.887 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.5 t -90.91 152.18 3.38 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 174.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -145.16 155.16 26.35 Favored Glycine 0 C--N 1.303 -1.283 0 C-N-CA 119.863 -1.16 . . . . 0.0 113.037 -171.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.1 m -113.07 128.03 56.38 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 175.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.471 ' N ' HD21 ' A' ' 23' ' ' LEU . 30.5 t -79.0 135.32 36.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.094 0.473 . . . . 0.0 110.548 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.601 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -76.11 -8.83 57.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.546 -179.724 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.436 ' CD ' ' HG3' ' A' ' 26' ' ' ARG . 39.3 mtp180 -84.29 -79.88 0.21 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.013 0.435 . . . . 0.0 110.996 177.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 t -82.7 -3.03 55.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.549 -173.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm 60.05 29.65 19.2 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.593 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -97.17 166.23 11.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.773 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -115.66 109.02 17.15 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.12 -173.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.656 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -134.26 155.74 22.03 Favored Glycine 0 C--O 1.221 -0.711 0 C-N-CA 121.111 -0.566 . . . . 0.0 111.958 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 6.9 t -102.29 144.52 30.69 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 117.201 0.5 . . . . 0.0 111.049 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.494 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 49.1 p90 -161.6 162.13 21.55 Favored Pre-proline 0 C--O 1.233 0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.989 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 51.7 Cg_exo -54.35 134.16 59.74 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.661 2.241 . . . . 0.0 113.098 -177.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.41 7.03 82.86 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.356 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -113.69 26.27 10.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 122.291 1.043 . . . . 0.0 108.977 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -120.71 -1.37 10.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.404 1.097 . . . . 0.0 108.134 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.693 HG23 ' HA ' ' A' ' 11' ' ' ALA . 11.7 p -123.37 158.84 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 114.259 -1.337 . . . . 0.0 109.787 -174.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.569 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 15.2 ptmt -123.25 163.59 33.01 Favored Pre-proline 0 C--O 1.226 -0.175 0 O-C-N 122.367 -0.208 . . . . 0.0 110.495 -177.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.569 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 12.2 Cg_endo -54.6 145.55 58.38 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 123.204 2.602 . . . . 0.0 112.503 176.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.719 HD11 ' HB2' ' A' ' 8' ' ' SER . 65.2 mt -52.68 140.81 22.53 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.308 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.148 179.499 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.787 ' HB2' HD11 ' A' ' 63' ' ' LEU . 4.9 m . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 17.9 m-85 -120.82 150.67 40.67 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.038 -178.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.725 ' HB2' HD23 ' A' ' 63' ' ' LEU . 52.5 tt0 -109.55 128.94 55.56 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.615 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.89 139.39 37.13 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.34 0.591 . . . . 0.0 111.736 -171.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.84 -45.76 88.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.812 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -152.27 178.91 9.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.715 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -77.43 140.22 39.83 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.228 0.537 . . . . 0.0 111.756 -174.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.725 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 42.4 t80 -127.65 139.88 52.44 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.819 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.2 mm -106.66 131.61 21.57 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.08 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.6 Cg_exo -57.82 133.35 55.55 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.889 2.393 . . . . 0.0 112.758 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -85.5 -36.2 20.69 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 173.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -126.48 163.46 23.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.129 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.6 -5.94 56.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.297 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.466 ' O ' HG22 ' A' ' 54' ' ' THR . 3.3 p30 -86.76 -14.29 42.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.064 0.459 . . . . 0.0 109.807 172.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 54' ' ' THR . 30.5 mt-10 -84.75 171.52 12.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.098 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.669 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 19.5 tp -111.05 139.0 46.77 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.472 -174.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.541 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.6 tt0 -77.27 116.17 17.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 170.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.725 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -112.85 135.57 53.46 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.704 -168.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.88 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 22.6 mmt180 -116.37 159.38 22.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.812 0.339 . . . . 0.0 110.522 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -58.72 136.03 57.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.588 0.709 . . . . 0.0 111.957 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.95 26.38 68.92 Favored Glycine 0 C--N 1.323 -0.14 0 CA-C-N 114.751 -1.113 . . . . 0.0 113.212 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -90.47 149.63 22.14 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.611 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 2.2 mp -99.76 140.41 19.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -176.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.491 HG23 ' HA3' ' A' ' 44' ' ' GLY . 3.5 p -119.12 130.84 73.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.532 0.682 . . . . 0.0 111.261 177.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.617 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 10.3 m-20 -114.88 121.82 44.39 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.527 173.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.896 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -75.92 121.43 27.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 122.021 0.915 . . . . 0.0 112.476 -172.426 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.731 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 92.3 mmm -81.7 -39.11 24.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 113.825 -1.534 . . . . 0.0 109.54 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.38 155.15 38.06 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 121.501 0.667 . . . . 0.0 110.63 175.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 22.7 mtmt -106.4 132.74 52.08 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.534 -1.212 . . . . 0.0 112.192 -171.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.3 m -107.5 135.06 49.61 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 168.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.17 -19.42 64.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.969 -173.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -68.96 -15.83 63.58 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.27 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.13 17.35 16.26 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.434 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -107.18 137.62 44.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.44 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 6.8 m-85 -125.02 164.44 20.15 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.176 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.896 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.5 t -90.51 156.32 3.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 169.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.617 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -157.46 154.65 25.72 Favored Glycine 0 C--N 1.305 -1.157 0 C-N-CA 119.232 -1.461 . . . . 0.0 113.339 -172.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 9.9 m -110.79 129.35 55.87 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 173.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.462 ' CB ' HG22 ' A' ' 49' ' ' THR . 30.8 t -78.5 132.73 37.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.126 0.488 . . . . 0.0 110.79 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.621 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -77.48 -19.47 55.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.729 179.564 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.88 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 52.6 mtt-85 -87.52 -65.56 1.0 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.373 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.462 HG22 ' CB ' ' A' ' 46' ' ' SER . 7.6 t -84.39 -4.33 58.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.595 -171.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt 57.72 30.61 19.19 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.973 175.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.8 160.77 17.02 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 1.6 p90 -116.91 114.2 23.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.789 0.804 . . . . 0.0 109.974 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.669 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -137.35 157.92 24.17 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 114.821 -1.082 . . . . 0.0 111.945 -177.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.8 t -101.19 145.72 28.44 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 117.341 0.571 . . . . 0.0 110.198 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.493 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 53.1 p90 -163.42 166.93 12.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.493 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 32.1 Cg_exo -56.23 133.36 57.54 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.388 2.059 . . . . 0.0 112.821 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.23 -6.66 81.15 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.725 176.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -94.68 26.45 3.5 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.456 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 7.0 t80 -129.88 -5.5 4.53 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.954 0.883 . . . . 0.0 109.116 -177.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.59 HG23 ' HA ' ' A' ' 11' ' ' ALA . 10.9 p -120.61 157.8 23.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.084 -0.962 . . . . 0.0 108.944 -176.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.437 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 9.7 ptmm? -124.15 158.79 59.56 Favored Pre-proline 0 C--N 1.33 -0.28 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.966 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 9.8 Cg_endo -51.8 143.16 39.55 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 123.322 2.681 . . . . 0.0 112.332 175.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.787 HD11 ' HB2' ' A' ' 8' ' ' SER . 70.5 mt -52.96 141.68 21.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.831 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.2 t80 . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.996 173.827 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.614 ' HB2' HD11 ' A' ' 63' ' ' LEU . 5.1 m . . . . . 0 N--CA 1.446 -0.656 0 CA-C-O 120.952 0.406 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.576 ' HB3' HG22 ' A' ' 60' ' ' VAL . 25.4 m-85 -127.98 154.43 45.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.778 -179.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.688 ' HB2' HD23 ' A' ' 63' ' ' LEU . 35.5 tt0 -110.06 129.99 55.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.688 ' HA ' HG23 ' A' ' 60' ' ' VAL . . . -80.36 139.08 36.72 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.383 0.611 . . . . 0.0 112.373 -169.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.509 ' CD2' ' HD2' ' A' ' 61' ' ' LYS . 15.2 mt -74.19 -33.59 63.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.379 -177.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -139.2 168.33 20.06 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -177.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.3 p -87.57 134.79 33.57 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 123.462 0.476 . . . . 0.0 110.401 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.681 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 21.6 t80 -110.21 133.88 52.79 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -176.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.7 mm -107.91 128.06 26.5 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.617 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 31.5 Cg_exo -55.49 133.07 55.94 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.859 2.373 . . . . 0.0 112.775 -176.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HB2' HE21 ' A' ' 18' ' ' GLN . 7.9 mt-30 -106.83 -32.09 8.09 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -114.88 161.44 18.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.772 -1.103 . . . . 0.0 109.545 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.56 -17.64 61.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.713 -173.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -101.02 3.87 41.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.929 0.395 . . . . 0.0 111.011 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -87.2 171.4 10.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.063 0.458 . . . . 0.0 110.553 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.635 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 16.3 tp -111.49 141.04 45.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.404 -170.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.617 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 5.2 tt0 -81.54 114.7 20.44 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 169.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.681 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 2.8 tm? -120.05 135.07 55.07 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.901 -165.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.947 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 18.4 tpt180 -100.49 154.21 18.73 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -64.06 139.38 58.76 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.57 28.6 72.73 Favored Glycine 0 C--N 1.316 -0.564 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.002 -176.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.529 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 28.7 t0 -95.45 151.74 19.02 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.535 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.2 mp -99.2 133.21 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.83 0.348 . . . . 0.0 110.192 -175.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.55 146.74 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.417 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.609 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 4.0 m-20 -128.21 131.0 48.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.887 175.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.924 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.75 121.14 28.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 122.127 0.965 . . . . 0.0 112.33 -176.027 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.604 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 18.6 mmt -88.01 -36.57 16.94 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 114.106 -1.406 . . . . 0.0 110.487 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -146.88 145.22 29.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -106.49 133.24 51.48 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.605 -173.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.3 t -85.98 148.39 25.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.321 0.582 . . . . 0.0 109.856 170.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.69 -24.29 66.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.549 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -173.37 78.99 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.025 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.43 -87.24 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.183 -1.008 . . . . 0.0 112.479 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -133.72 173.21 11.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.043 0.449 . . . . 0.0 111.485 -175.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.465 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 13.5 m-85 -117.83 164.16 15.44 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 169.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.924 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.5 t -89.78 155.78 3.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 174.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.609 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -149.7 155.98 26.54 Favored Glycine 0 C--N 1.303 -1.253 0 C-N-CA 119.868 -1.158 . . . . 0.0 113.408 -168.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.1 m -117.4 127.42 54.02 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.3 t -88.26 139.93 30.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.954 0.407 . . . . 0.0 111.333 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.529 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . 4.4 mpt_? -71.02 -9.11 57.47 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.257 177.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.947 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 48.7 mtp180 -72.15 -63.56 1.12 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.117 0.484 . . . . 0.0 111.544 -174.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.576 HG23 ' HG2' ' A' ' 51' ' ' GLN . 9.4 t -123.19 14.04 9.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.614 0.721 . . . . 0.0 110.281 -177.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 51.18 38.25 20.57 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.009 -0.996 . . . . 0.0 112.835 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.59 ' HG3' ' CD1' ' A' ' 23' ' ' LEU . 4.1 pt20 -95.97 166.25 11.87 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -115.37 107.8 15.69 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.273 -171.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.635 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -134.08 153.26 20.86 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.794 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 11.9 t -101.91 146.39 27.91 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 117.165 0.482 . . . . 0.0 110.74 -176.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.473 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 50.6 p90 -165.1 162.13 14.31 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.372 175.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 57.0 Cg_exo -51.54 134.68 46.76 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.957 2.438 . . . . 0.0 113.597 -175.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.43 -9.52 75.62 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.559 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -98.91 21.65 11.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.647 0.737 . . . . 0.0 109.697 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -116.01 -6.72 11.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.757 -1.11 . . . . 0.0 108.625 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.688 HG23 ' HA ' ' A' ' 11' ' ' ALA . 12.0 p -122.49 156.28 27.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.229 -176.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.702 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 17.9 ptmt -125.68 164.08 34.97 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.774 0.321 . . . . 0.0 111.183 -174.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.702 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 18.1 Cg_endo -57.69 141.53 95.56 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 123.347 2.698 . . . . 0.0 112.668 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.688 HD23 ' HB2' ' A' ' 10' ' ' GLN . 64.6 mt -55.57 152.11 9.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.299 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 . . . . . 0 C--O 1.247 0.922 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.251 175.921 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.593 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 7.5 m-85 -127.4 155.04 44.26 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.714 -176.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.544 ' HB2' HD23 ' A' ' 63' ' ' LEU . 9.0 tt0 -110.38 132.89 53.78 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.629 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.7 138.69 37.41 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.453 0.644 . . . . 0.0 111.493 -171.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -74.74 -32.51 62.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.67 -175.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.438 ' HB2' ' OH ' ' A' ' 59' ' ' TYR . 67.5 m-85 -141.09 177.99 7.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.39 -176.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 m -86.06 135.01 33.79 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.672 170.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.719 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 34.2 t80 -123.42 132.22 53.88 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.871 -176.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.9 mm -103.73 131.6 21.85 Favored Pre-proline 0 C--N 1.312 -1.062 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.899 -176.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 36.8 Cg_exo -55.25 131.78 48.35 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.979 2.452 . . . . 0.0 112.814 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.4 ' HB2' HE21 ' A' ' 18' ' ' GLN . 8.7 mt-30 -90.05 -37.98 13.9 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.041 176.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.441 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 5.1 m-20 -115.15 166.17 12.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.137 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -71.57 -18.67 62.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.057 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -83.96 -12.47 55.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.003 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.54 ' HA ' ' O ' ' A' ' 54' ' ' THR . 72.2 mt-10 -84.47 166.72 17.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.625 0.726 . . . . 0.0 111.949 -174.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.7 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 22.3 tp -107.35 142.38 37.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.315 -174.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.539 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 4.0 tt0 -78.87 116.67 19.35 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.037 174.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.719 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -113.18 135.57 53.67 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.704 -169.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.534 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 22.7 mmt180 -117.96 157.61 26.42 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 177.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -55.04 138.79 43.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.028 0.442 . . . . 0.0 111.019 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.37 34.84 89.11 Favored Glycine 0 C--N 1.32 -0.325 0 CA-C-N 115.336 -0.847 . . . . 0.0 113.601 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.534 ' HB2' ' O ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -98.5 155.99 17.0 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 175.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.593 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -104.51 135.98 39.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 p -110.65 128.99 66.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.606 0.717 . . . . 0.0 111.31 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.416 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 9.0 m-20 -120.46 116.49 25.55 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.339 -1.301 . . . . 0.0 108.108 173.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.931 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.8 124.24 34.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.884 0.85 . . . . 0.0 112.261 -172.172 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.601 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 95.7 mmm -87.77 -35.37 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.181 178.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.528 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 12.1 tp10 -148.58 144.46 27.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.68 177.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -107.33 108.06 19.27 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.933 -176.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.6 m -85.65 122.16 29.36 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.92 -5.82 6.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.78 -176.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -86.19 3.8 41.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.058 0.456 . . . . 0.0 110.781 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.96 4.76 31.3 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.722 -0.752 . . . . 0.0 113.637 173.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.417 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 21.1 m95 -114.52 138.48 50.57 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -177.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.42 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 6.0 m-85 -116.27 160.53 20.32 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 168.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.931 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.0 t -90.91 155.89 3.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 176.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -149.57 154.28 25.65 Favored Glycine 0 C--N 1.301 -1.392 0 C-N-CA 120.185 -1.007 . . . . 0.0 112.159 -173.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.1 m -110.91 129.8 55.77 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.4 t -78.27 128.51 33.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.961 0.41 . . . . 0.0 110.967 -177.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.564 ' HD3' ' O ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -80.37 16.86 1.18 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.905 177.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 48' ' ' ARG . 52.9 mtp180 -103.5 -67.92 0.86 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.679 176.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.0 t -111.22 14.49 21.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.797 -171.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt 58.51 31.88 21.51 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -103.62 164.82 11.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.907 0.384 . . . . 0.0 111.071 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -117.78 112.9 21.03 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.343 -173.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.7 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.02 152.5 21.09 Favored Glycine 0 C--O 1.223 -0.547 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.889 178.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 8.9 t -102.07 143.81 31.44 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 117.494 0.647 . . . . 0.0 110.406 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.42 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 45.4 p90 -158.92 163.99 22.41 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.083 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 32.5 Cg_exo -56.92 133.26 56.79 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.496 2.13 . . . . 0.0 112.601 -177.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.412 ' HA3' ' CE2' ' A' ' 42' ' ' PHE . . . -92.89 12.26 70.3 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.972 -0.633 . . . . 0.0 112.816 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -107.3 14.22 26.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.293 0.568 . . . . 0.0 110.245 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.438 ' OH ' ' HB2' ' A' ' 13' ' ' TYR . 11.4 t80 -115.47 -3.42 12.39 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 122.001 0.905 . . . . 0.0 109.569 -175.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.584 HG23 ' HA ' ' A' ' 11' ' ' ALA . 11.3 p -119.75 158.63 21.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.694 -173.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.449 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 2.7 ptmm? -123.63 150.91 62.8 Favored Pre-proline 0 C--O 1.224 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 111.122 -177.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.81 146.18 79.64 Favored 'Trans proline' 0 N--CA 1.478 0.588 0 C-N-CA 123.939 3.093 . . . . 0.0 113.508 -177.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.544 HD23 ' HB2' ' A' ' 10' ' ' GLN . 74.6 mt -64.19 160.31 18.76 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.252 176.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.614 -0.708 . . . . 0.0 111.41 178.782 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.446 ' HB2' HD11 ' A' ' 63' ' ' LEU . 3.4 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.585 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 8.7 m-85 -128.64 155.07 45.58 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -177.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.687 ' HB2' HD23 ' A' ' 63' ' ' LEU . 33.7 tt0 -111.26 130.22 55.73 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.62 ' HA ' HG23 ' A' ' 60' ' ' VAL . . . -79.74 140.33 36.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.482 0.658 . . . . 0.0 111.826 -171.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.676 HD21 ' HD3' ' A' ' 61' ' ' LYS . 13.7 mt -74.78 -32.58 62.07 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.118 -176.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -143.23 173.82 11.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.289 -176.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 m -82.81 148.01 28.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.082 0.468 . . . . 0.0 110.859 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.732 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 49.1 t80 -136.89 131.78 33.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.666 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.4 mm -104.55 132.6 20.78 Favored Pre-proline 0 C--N 1.312 -1.05 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.882 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.566 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 39.3 Cg_exo -56.86 132.9 54.51 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.59 2.194 . . . . 0.0 112.256 -177.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -89.52 -36.49 15.33 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -116.31 160.04 21.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.89 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.56 -14.6 61.67 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.368 -177.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.21 -12.73 54.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.176 0.512 . . . . 0.0 110.122 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 54' ' ' THR . 19.5 mt-10 -84.75 171.34 12.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.678 176.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.757 HD11 ' HB2' ' A' ' 46' ' ' SER . 17.4 tp -118.93 148.05 43.36 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.774 -174.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.566 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.6 tt0 -77.38 131.53 38.09 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.732 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.3 tm? -125.37 132.32 52.82 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.161 -172.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.702 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 7.1 tpt180 -111.53 158.85 18.7 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 26' ' ' ARG . 6.2 p-10 -58.31 131.22 50.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.363 0.601 . . . . 0.0 110.034 172.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.65 28.35 71.07 Favored Glycine 0 C--N 1.315 -0.605 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.881 -177.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.702 ' HB2' ' O ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER -91.66 157.51 16.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.585 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -107.17 147.16 12.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -176.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 9' ' ' TYR . 2.6 p -108.73 127.48 65.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.651 0.739 . . . . 0.0 111.365 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.739 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 17.5 t70 -117.52 109.34 16.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.347 -1.297 . . . . 0.0 108.241 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.925 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -85.07 121.61 37.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 122.047 0.927 . . . . 0.0 112.557 -172.412 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.551 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 76.1 mtm -84.55 -36.72 21.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.368 178.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 43' ' ' VAL . 10.4 tp10 -148.35 140.05 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.733 ' H ' ' HD2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -107.57 125.63 51.54 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.994 -173.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 41' ' ' TRP . 77.8 m -82.34 144.09 30.81 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 168.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -70.77 -8.39 51.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -141.22 70.15 1.34 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.102 0.477 . . . . 0.0 112.188 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.52 -56.22 0.49 Allowed Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.128 -1.034 . . . . 0.0 115.365 162.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.476 ' O ' ' HB2' ' A' ' 37' ' ' CYS . 47.9 m95 -88.17 135.77 33.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.903 0.382 . . . . 0.0 111.985 -169.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.498 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 8.3 m-85 -123.13 160.09 27.19 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 166.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.925 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.8 t -91.43 160.32 2.71 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.868 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 176.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.739 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -153.58 155.75 26.35 Favored Glycine 0 C--N 1.308 -1.015 0 C-N-CA 119.776 -1.202 . . . . 0.0 113.4 -172.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 m -109.94 135.77 50.28 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 172.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.757 ' HB2' HD11 ' A' ' 23' ' ' LEU . 23.7 t -78.2 126.72 31.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.443 0.64 . . . . 0.0 110.962 -175.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.572 HH21 ' CG ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -60.73 -32.35 71.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.83 -179.497 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 48' ' ' ARG . 48.2 mtm180 -93.61 -65.48 0.99 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.854 -172.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.2 t -88.29 0.63 55.93 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -171.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 57.2 33.32 23.14 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.174 0.511 . . . . 0.0 111.94 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -98.39 165.61 11.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.516 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.414 ' HB3' ' HE1' ' A' ' 34' ' ' MET . 46.1 m-85 -116.56 102.74 9.73 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.207 -175.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.599 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.58 152.26 20.88 Favored Glycine 0 C--O 1.222 -0.638 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.86 -175.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.585 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 14.7 t -101.65 147.56 26.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 117.059 0.43 . . . . 0.0 110.371 178.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.441 ' HE1' HD23 ' A' ' 23' ' ' LEU . 34.9 p90 -159.69 158.33 27.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.745 0.307 . . . . 0.0 110.506 177.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -61.99 133.84 46.52 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.9 2.4 . . . . 0.0 112.722 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.463 ' HA3' ' CE2' ' A' ' 42' ' ' PHE . . . -93.61 12.61 69.18 Favored Glycine 0 C--O 1.227 -0.291 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.358 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -105.3 14.4 28.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.374 0.607 . . . . 0.0 110.14 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -114.91 -4.36 12.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.194 0.997 . . . . 0.0 108.849 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.62 HG23 ' HA ' ' A' ' 11' ' ' ALA . 10.4 p -121.12 156.22 24.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.247 -171.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.676 ' HD3' HD21 ' A' ' 12' ' ' LEU . 25.4 mtpp -117.65 155.05 50.95 Favored Pre-proline 0 C--N 1.328 -0.361 0 C-N-CA 122.094 0.158 . . . . 0.0 110.853 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -51.78 144.25 35.5 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 123.47 2.78 . . . . 0.0 112.29 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.687 HD23 ' HB2' ' A' ' 10' ' ' GLN . 77.9 mt -50.48 126.85 16.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.489 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.865 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.54 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.62 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 32.2 m-85 -125.64 152.5 45.11 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -177.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.444 ' HB2' HD23 ' A' ' 63' ' ' LEU . 12.2 tt0 -109.37 131.13 55.35 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.626 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.9 135.35 36.41 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.283 0.563 . . . . 0.0 111.233 -174.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 61' ' ' LYS . 17.4 mt -66.04 -39.05 89.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.596 -1.184 . . . . 0.0 111.959 -173.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -149.88 170.22 19.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.525 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.542 ' HB3' ' H ' ' A' ' 27' ' ' ASP . 52.2 p -83.58 146.99 28.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.596 -176.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.643 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 63.3 t80 -137.29 141.52 41.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.071 -175.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 49.4 mm -108.87 127.67 26.9 Favored Pre-proline 0 C--N 1.319 -0.747 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.561 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 44.6 Cg_exo -54.6 133.31 56.2 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 123.309 2.673 . . . . 0.0 112.884 -176.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -98.84 -30.97 12.1 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 175.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.544 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 52.2 m-80 -115.17 155.97 26.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.154 173.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -71.04 -21.42 62.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.377 0.608 . . . . 0.0 110.499 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -71.57 -20.44 62.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.669 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.544 ' HG3' ' HB2' ' A' ' 19' ' ' ASN . 90.5 mt-10 -84.92 154.51 22.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.473 0.654 . . . . 0.0 111.141 -175.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.649 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 17.5 tp -94.34 144.56 25.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.256 -175.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.561 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 5.9 tt0 -77.39 116.74 18.23 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 173.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.643 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 0.9 OUTLIER -106.97 130.71 54.57 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.218 -170.199 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.52 ' HG2' ' CZ ' ' A' ' 48' ' ' ARG . 16.0 mmt180 -115.32 146.1 41.85 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 173.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.542 ' H ' ' HB3' ' A' ' 14' ' ' SER . 7.5 p-10 -56.02 126.28 25.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.473 0.654 . . . . 0.0 111.115 -176.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.434 ' HA2' ' HG2' ' A' ' 10' ' ' GLN . . . 85.91 29.12 26.91 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 114.976 -1.011 . . . . 0.0 113.111 -176.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.484 ' OD2' ' HD3' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -85.96 147.88 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.724 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.62 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.6 mp -104.35 137.07 34.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 p -109.72 136.56 45.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.741 0.782 . . . . 0.0 112.169 -173.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.689 ' HB3' HH12 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -125.45 119.13 27.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.246 -1.343 . . . . 0.0 108.051 174.077 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.93 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -79.86 121.95 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 122.15 0.976 . . . . 0.0 112.77 -173.158 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.665 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 21.3 mmt -83.44 -40.84 18.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 113.866 -1.515 . . . . 0.0 110.275 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 43' ' ' VAL . 30.6 tt0 -147.81 141.44 25.55 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 37.9 mtmt -100.66 127.28 47.12 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 -176.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.0 m -93.51 132.85 37.4 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 169.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.53 -17.67 55.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.897 -172.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.6 -22.5 60.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.06 7.68 9.21 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.31 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -101.76 139.32 37.57 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.459 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 5.4 m-85 -124.02 164.81 18.6 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.796 176.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.93 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.2 t -90.2 152.61 3.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 172.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.605 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -145.6 153.5 25.33 Favored Glycine 0 C--N 1.302 -1.343 0 C-N-CA 119.99 -1.1 . . . . 0.0 112.891 -171.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m -114.01 127.91 56.16 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.0 t -78.84 133.79 36.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.001 0.429 . . . . 0.0 111.029 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.689 HH12 ' HB3' ' A' ' 32' ' ' ASP . 4.5 mpt_? -67.45 -13.14 61.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.93 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.52 ' CZ ' ' HG2' ' A' ' 26' ' ' ARG . 13.3 mtp180 -84.53 -81.15 0.19 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.24 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 t -86.05 -0.94 56.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.648 -173.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt 60.43 29.11 18.75 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.555 178.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.415 ' HA ' ' OE1' ' A' ' 51' ' ' GLN . 13.2 mm-40 -90.54 162.49 15.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.411 178.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -115.95 107.84 15.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.846 -174.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.649 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.01 151.51 20.47 Favored Glycine 0 C--O 1.222 -0.647 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.994 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.0 t -101.42 144.39 30.28 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 117.337 0.569 . . . . 0.0 110.462 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.419 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 48.5 p90 -159.09 163.4 24.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.008 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 35.9 Cg_exo -56.09 134.26 63.05 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.561 2.174 . . . . 0.0 112.611 -178.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.91 -18.36 65.53 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.705 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -91.67 40.6 1.04 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.28 1.038 . . . . 0.0 108.607 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -136.15 -6.64 2.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.352 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.596 HG23 ' HA ' ' A' ' 11' ' ' ALA . 9.2 p -121.57 159.84 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.557 -173.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.466 ' HE3' ' HB2' ' A' ' 61' ' ' LYS . 11.1 ptmt -120.54 150.4 52.11 Favored Pre-proline 0 C--N 1.331 -0.231 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.949 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -60.82 146.89 96.77 Favored 'Trans proline' 0 N--CA 1.473 0.278 0 C-N-CA 123.579 2.853 . . . . 0.0 112.452 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 10' ' ' GLN . 81.1 mt -60.98 126.87 28.95 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.299 175.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 p90 . . . . . 0 C--O 1.247 0.968 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.144 -175.365 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.421 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 4.1 m . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.607 ' HB3' HG22 ' A' ' 60' ' ' VAL . 25.3 m-85 -126.21 155.0 42.51 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.458 -175.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.686 ' HB2' HD23 ' A' ' 63' ' ' LEU . 32.9 tt0 -109.8 128.67 55.46 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.653 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -80.31 134.73 36.09 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.473 0.654 . . . . 0.0 111.302 -173.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.75 -41.55 99.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.468 -173.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -150.82 177.14 10.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.295 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 m -77.55 150.11 34.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.099 0.476 . . . . 0.0 111.885 -174.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.643 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 70.9 t80 -131.45 138.52 49.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.543 -177.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.446 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 49.8 mm -111.07 126.7 28.16 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.569 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 17.5 Cg_exo -63.48 131.85 33.39 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.546 2.164 . . . . 0.0 112.215 -177.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -84.54 -42.24 15.69 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 173.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -115.75 153.56 31.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.073 171.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.14 -3.35 22.77 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.401 ' O ' HG22 ' A' ' 54' ' ' THR . 15.8 m-20 -77.38 -24.7 50.53 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 170.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 54' ' ' THR . 50.7 mt-10 -84.07 157.04 21.9 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.662 177.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.606 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 17.0 tp -98.86 139.35 34.67 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.695 -171.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.569 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 4.6 tt0 -78.31 115.68 18.2 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 172.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.653 HD11 ' CB ' ' A' ' 11' ' ' ALA . 1.5 tm? -113.02 134.38 54.54 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.935 -168.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.536 ' N ' HD13 ' A' ' 25' ' ' LEU . 9.7 tpt180 -111.91 143.82 42.26 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 172.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -49.39 128.68 17.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.763 0.792 . . . . 0.0 111.616 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.45 25.3 59.22 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 114.641 -1.163 . . . . 0.0 113.392 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -78.78 149.24 32.68 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.138 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.575 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -104.63 132.01 52.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.1 p -109.52 131.64 59.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.765 0.793 . . . . 0.0 111.671 -175.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.501 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 34.7 t70 -115.85 112.28 21.7 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 113.905 -1.498 . . . . 0.0 107.877 173.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.86 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.59 125.16 36.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 122.016 0.912 . . . . 0.0 112.329 -171.386 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.458 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 94.5 mmm -88.28 -27.74 21.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.551 -177.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -160.86 147.27 15.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.056 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -97.3 118.21 33.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.047 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.4 m -91.08 129.2 37.11 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.41 -22.43 61.42 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.152 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -64.57 -21.36 66.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.251 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.15 4.72 15.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.046 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.452 ' CE3' ' HA ' ' A' ' 55' ' ' PHE . 12.3 m0 -105.36 155.01 19.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.423 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 14.3 m-85 -117.97 159.97 22.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 167.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.86 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 4.4 t -91.48 158.62 2.87 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 173.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.501 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -162.52 155.94 27.42 Favored Glycine 0 C--N 1.304 -1.246 0 C-N-CA 119.964 -1.112 . . . . 0.0 112.664 -171.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.7 m -109.91 132.46 54.13 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.37 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.564 ' OG ' ' HG2' ' A' ' 48' ' ' ARG . 46.0 t -78.04 140.62 39.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.062 -174.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.566 ' HD2' ' HB ' ' A' ' 30' ' ' ILE . 3.9 mmp_? -75.85 -33.51 60.03 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.676 0.751 . . . . 0.0 110.492 -177.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.564 ' HG2' ' OG ' ' A' ' 46' ' ' SER . 3.5 ptm180 -76.18 -46.73 27.11 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.486 -1.233 . . . . 0.0 112.582 -174.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.443 ' N ' ' HG3' ' A' ' 48' ' ' ARG . 10.4 t -121.19 4.56 10.33 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -170.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 50.83 30.16 4.92 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -82.95 160.59 22.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -115.83 101.3 8.68 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.606 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -134.24 149.73 19.85 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.846 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.695 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 5.3 t -101.09 143.33 31.33 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.849 0.357 . . . . 0.0 110.08 178.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.484 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 49.9 p90 -157.87 166.72 15.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.484 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 51.1 Cg_exo -54.29 132.54 51.21 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.289 1.993 . . . . 0.0 112.407 -178.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.7 -11.5 77.05 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.354 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.02 22.49 10.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.818 0.818 . . . . 0.0 109.68 177.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.421 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 3.0 t80 -113.29 -7.13 13.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.505 -1.225 . . . . 0.0 108.539 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.607 HG22 ' HB3' ' A' ' 9' ' ' TYR . 10.3 p -121.26 154.53 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.286 -175.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.449 ' HE3' ' HB2' ' A' ' 61' ' ' LYS . 11.7 ptmt -122.71 150.29 58.02 Favored Pre-proline 0 C--N 1.328 -0.346 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.415 -176.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.18 141.83 47.44 Favored 'Trans proline' 0 N--CA 1.477 0.506 0 C-N-CA 123.952 3.101 . . . . 0.0 113.781 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.686 HD23 ' HB2' ' A' ' 10' ' ' GLN . 58.3 mt -58.51 149.52 25.15 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.239 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 . . . . . 0 C--O 1.249 1.043 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.198 -176.632 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.787 ' HB2' HD11 ' A' ' 63' ' ' LEU . 5.5 m . . . . . 0 N--CA 1.444 -0.735 0 CA-C-O 121.012 0.434 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.506 ' HB3' HG22 ' A' ' 60' ' ' VAL . 5.9 m-85 -122.05 151.84 40.43 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.54 ' HB2' HD23 ' A' ' 63' ' ' LEU . 25.9 tt0 -109.1 131.2 55.29 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.602 ' HA ' HG23 ' A' ' 60' ' ' VAL . . . -79.64 139.2 37.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.472 0.653 . . . . 0.0 111.37 -172.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -64.62 -40.2 95.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.168 -173.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CZ ' ' HE2' ' A' ' 59' ' ' TYR . 36.2 p90 -151.74 -179.91 7.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.311 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.9 p -83.76 143.21 30.14 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 123.384 0.427 . . . . 0.0 111.603 -175.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.732 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 74.3 t80 -129.25 142.32 50.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.638 -175.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 50.4 mm -110.55 129.02 24.4 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.299 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.516 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 32.4 Cg_exo -58.73 134.98 64.13 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.465 2.777 . . . . 0.0 113.205 -177.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -88.67 -37.17 15.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 172.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -120.07 167.36 12.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.621 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -79.9 -5.86 56.34 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.33 -33.75 71.86 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.374 169.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.515 ' HA ' ' O ' ' A' ' 54' ' ' THR . 87.8 mt-10 -84.88 162.32 19.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.133 -171.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.666 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 20.4 tp -103.54 145.09 30.53 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.494 -1.23 . . . . 0.0 110.099 -175.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.516 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 7.2 tt0 -81.21 115.29 20.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 172.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.732 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -113.19 135.15 54.13 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.12 -165.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.77 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 22.0 tpt180 -106.9 156.46 18.68 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -59.57 137.23 58.09 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.219 173.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.417 ' HA2' ' HG2' ' A' ' 10' ' ' GLN . . . 64.85 28.11 72.98 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.879 -178.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -95.94 149.16 21.87 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.626 ' CG2' ' HB3' ' A' ' 8' ' ' SER . 2.5 mp -100.31 133.03 44.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 120.935 0.397 . . . . 0.0 110.72 -173.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.803 HG23 ' HA3' ' A' ' 44' ' ' GLY . 3.7 p -111.63 132.84 59.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.537 0.684 . . . . 0.0 111.191 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.611 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 4.1 m-20 -121.59 117.11 25.93 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.402 -1.272 . . . . 0.0 108.392 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.876 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -75.92 119.92 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.857 0.836 . . . . 0.0 112.442 -170.292 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 24.2 mmt -91.27 -32.1 15.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.574 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.559 ' O ' HG23 ' A' ' 43' ' ' VAL . 28.7 tt0 -146.03 146.74 31.08 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 37.0 mtmt -114.15 132.65 56.0 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -173.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 62.6 m -77.16 134.87 38.55 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 161.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.46 -25.13 34.82 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.617 0.573 . . . . 0.0 111.959 -169.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -160.56 81.36 0.67 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.867 0.365 . . . . 0.0 110.43 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.95 -94.57 0.11 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.394 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.435 ' HE3' ' HA ' ' A' ' 56' ' ' PRO . 0.6 OUTLIER -106.84 162.03 14.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.937 0.399 . . . . 0.0 110.914 -171.296 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.56 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 9.4 m-85 -128.2 169.34 14.26 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 174.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.876 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 5.9 t -90.4 169.53 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 175.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.803 ' HA3' HG23 ' A' ' 31' ' ' VAL . . . -162.22 155.46 26.75 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 119.957 -1.116 . . . . 0.0 112.684 -176.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.4 m -110.85 127.1 55.29 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.513 ' HB2' HD21 ' A' ' 23' ' ' LEU . 44.4 t -78.87 133.51 36.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.938 0.399 . . . . 0.0 110.809 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.627 HH11 ' HG3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -77.14 4.51 10.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.678 177.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.77 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 65.8 mtp180 -85.35 -70.14 0.61 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.825 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -113.12 12.87 19.22 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.951 -174.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt 53.19 35.87 21.04 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.479 ' HA ' ' OE1' ' A' ' 51' ' ' GLN . 13.6 mm-40 -98.37 164.75 12.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.194 175.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -115.91 108.68 16.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.631 -172.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.666 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.56 154.57 21.8 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.787 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.4 t -101.94 151.42 22.13 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 117.063 0.432 . . . . 0.0 110.545 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.612 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 49.5 p90 -164.86 168.47 8.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 176.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.557 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 69.0 Cg_exo -50.96 134.07 41.65 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.531 2.154 . . . . 0.0 113.738 -175.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.76 -11.04 66.3 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.412 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -94.23 17.81 12.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.671 0.748 . . . . 0.0 109.231 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.546 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 7.6 t80 -120.34 -6.44 9.84 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.228 -173.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.602 HG23 ' HA ' ' A' ' 11' ' ' ALA . 9.1 p -123.8 154.04 30.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.746 -176.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.465 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 10.0 ptmm? -123.61 158.37 59.44 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 120.423 0.154 . . . . 0.0 110.639 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 11.4 Cg_endo -52.74 150.97 20.76 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.304 2.669 . . . . 0.0 112.314 177.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.787 HD11 ' HB2' ' A' ' 8' ' ' SER . 60.9 mt -61.62 161.78 9.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.441 0.638 . . . . 0.0 112.286 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.9 p90 . . . . . 0 C--O 1.248 1.0 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.425 -177.414 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.536 ' HB2' HD11 ' A' ' 63' ' ' LEU . 7.6 m . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.544 ' HB3' HG22 ' A' ' 60' ' ' VAL . 20.3 m-85 -116.66 151.72 35.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.554 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.72 ' HB2' HD23 ' A' ' 63' ' ' LEU . 42.5 tt0 -110.07 128.99 55.75 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 174.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.675 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.62 139.85 37.31 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.449 0.642 . . . . 0.0 111.346 -173.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.564 HD21 ' HD3' ' A' ' 61' ' ' LYS . 13.1 mt -70.34 -37.32 74.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.946 -175.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.495 ' CZ ' ' HE2' ' A' ' 59' ' ' TYR . 46.2 p90 -151.93 -178.83 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.296 178.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.405 ' HB3' ' H ' ' A' ' 27' ' ' ASP . 59.3 p -86.72 140.34 29.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.023 0.44 . . . . 0.0 111.463 -176.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.719 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 60.4 t80 -125.23 139.99 53.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.08 -177.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.42 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 42.0 mm -110.36 129.87 23.48 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.07 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.57 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.4 Cg_exo -54.63 133.83 59.03 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.386 2.724 . . . . 0.0 113.23 -175.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -92.24 -34.28 14.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -114.9 160.88 19.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.466 173.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -75.62 -15.47 60.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.079 0.466 . . . . 0.0 110.755 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.86 -13.0 58.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.628 0.728 . . . . 0.0 109.561 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -84.61 172.03 11.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.08 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.646 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 21.6 tp -111.73 142.35 44.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.164 -172.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.57 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.9 tt0 -79.95 116.39 20.07 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 172.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.719 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.1 tm? -113.66 135.25 54.13 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.23 -168.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.662 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 21.1 tpt180 -106.15 155.6 19.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.8 0.333 . . . . 0.0 110.48 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.405 ' H ' ' HB3' ' A' ' 14' ' ' SER . 5.7 p-10 -63.47 134.01 54.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.071 0.462 . . . . 0.0 110.865 174.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.73 33.12 85.91 Favored Glycine 0 N--CA 1.453 -0.201 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.572 -176.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -97.98 141.93 30.33 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 177.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.814 ' HB ' ' HD3' ' A' ' 47' ' ' ARG . 2.6 mp -99.25 127.6 51.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.044 0.449 . . . . 0.0 110.229 -176.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.421 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 7.3 p -119.9 144.04 29.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.233 0.54 . . . . 0.0 111.851 -175.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.574 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 28.6 m-20 -114.14 126.91 55.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.15 173.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.89 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -77.06 123.86 34.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 121.717 0.77 . . . . 0.0 111.467 178.577 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.587 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 21.8 mmt -83.72 -36.95 23.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.355 -1.293 . . . . 0.0 110.404 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 43' ' ' VAL . 30.8 tt0 -148.96 141.21 24.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.607 176.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.498 ' HG2' HG21 ' A' ' 33' ' ' VAL . 43.1 mtmt -101.55 131.93 47.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.006 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.532 ' HB2' ' HD1' ' A' ' 41' ' ' TRP . 37.4 m -97.36 134.88 40.04 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 171.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -56.88 -31.31 64.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.84 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -56.65 -51.22 69.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.443 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.17 -8.59 0.32 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 119.683 -1.246 . . . . 0.0 114.18 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.712 ' HB3' ' HA ' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -106.38 149.33 27.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.188 0.994 . . . . 0.0 110.745 -179.534 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.498 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 10.6 m-85 -122.62 171.15 9.34 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -177.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.89 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.2 t -90.68 164.33 2.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 172.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.574 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -159.7 156.43 27.61 Favored Glycine 0 C--N 1.31 -0.864 0 C-N-CA 119.466 -1.35 . . . . 0.0 113.763 -171.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -120.95 127.63 51.99 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 173.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.44 ' N ' HD21 ' A' ' 23' ' ' LEU . 47.3 t -85.1 140.76 30.72 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 110.749 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.814 ' HD3' ' HB ' ' A' ' 30' ' ' ILE . 7.6 mtm180 -68.86 -17.2 63.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.394 -178.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.662 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 57.0 mtp180 -78.05 -83.62 0.08 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.009 -173.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.8 t -92.28 11.36 26.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.174 -171.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt 55.54 36.21 26.7 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.405 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -96.36 161.48 13.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -116.6 105.05 12.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.657 -177.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.646 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.18 154.72 21.73 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.398 -177.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.3 t -101.37 150.46 22.99 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 117.133 0.466 . . . . 0.0 110.249 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.513 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 52.3 p90 -165.48 166.29 10.47 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.712 ' HA ' ' HB3' ' A' ' 41' ' ' TRP . 52.9 Cg_exo -52.36 134.23 50.85 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.661 2.241 . . . . 0.0 113.085 -178.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.537 ' H ' ' HA ' ' A' ' 41' ' ' TRP . . . -94.3 -2.84 63.63 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.928 -179.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -101.1 23.98 10.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 122.423 1.106 . . . . 0.0 108.204 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.53 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 5.8 t80 -119.09 -16.69 9.11 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.148 -178.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.629 HG23 ' HA ' ' A' ' 11' ' ' ALA . 10.7 p -119.89 150.33 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.019 -177.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.564 ' HD3' HD21 ' A' ' 12' ' ' LEU . 41.4 mtpt -120.83 156.45 56.38 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -174.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 61' ' ' LYS . 16.1 Cg_endo -54.1 148.29 40.36 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 124.061 3.174 . . . . 0.0 112.855 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.72 HD23 ' HB2' ' A' ' 10' ' ' GLN . 79.6 mt -61.75 128.61 37.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.207 176.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 p90 . . . . . 0 N--CA 1.436 -1.14 0 CA-C-O 118.537 -0.744 . . . . 0.0 110.832 -179.284 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.423 ' HB2' HD11 ' A' ' 63' ' ' LEU . 6.2 m . . . . . 0 N--CA 1.449 -0.522 0 CA-C-O 120.916 0.388 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.531 ' HB3' HG22 ' A' ' 60' ' ' VAL . 12.2 m-85 -129.32 154.91 46.41 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.596 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.642 ' HB2' HD23 ' A' ' 63' ' ' LEU . 43.8 tt0 -109.02 128.38 54.9 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.774 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -80.39 139.37 36.55 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.521 -172.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.607 HD21 ' HD3' ' A' ' 61' ' ' LYS . 14.2 mt -75.21 -31.84 61.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.69 -174.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -144.67 179.23 7.43 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.43 -175.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.1 m -91.0 136.19 33.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.85 0.357 . . . . 0.0 110.306 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.756 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 52.3 t80 -109.11 133.44 53.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.101 -177.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 45.7 mm -108.5 118.46 52.02 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 173.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 51.6 Cg_exo -54.95 132.93 55.14 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 123.42 2.747 . . . . 0.0 113.229 -175.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -76.98 -32.15 57.03 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 174.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -133.18 155.23 49.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.069 -1.423 . . . . 0.0 107.558 169.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -72.7 -8.49 55.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.668 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -62.32 -29.23 70.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.627 0.727 . . . . 0.0 109.076 169.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.529 ' HA ' ' O ' ' A' ' 54' ' ' THR . 22.8 mt-10 -83.54 158.29 22.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.375 177.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.789 HD11 ' HG3' ' A' ' 51' ' ' GLN . 16.7 tp -91.97 135.2 34.14 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.844 -173.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.493 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 6.4 tt0 -77.21 115.16 16.76 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 172.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.774 HD11 ' CB ' ' A' ' 11' ' ' ALA . 2.8 tm? -114.2 136.14 53.28 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.786 -166.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.411 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 9.5 tpt180 -104.87 151.57 23.68 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.731 0.301 . . . . 0.0 110.282 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -56.86 133.95 54.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.582 0.705 . . . . 0.0 111.464 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.31 27.45 72.45 Favored Glycine 0 C--N 1.32 -0.346 0 CA-C-N 115.034 -0.984 . . . . 0.0 113.006 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -89.91 142.65 27.5 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.636 ' HB ' ' HD3' ' A' ' 47' ' ' ARG . 3.0 mp -99.46 122.48 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.443 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 11.0 p -112.96 147.24 16.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.478 -174.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.483 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 17.4 m-20 -120.78 127.69 52.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.121 174.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.851 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.96 123.4 33.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 122.002 0.906 . . . . 0.0 112.315 -177.359 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.634 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 96.2 mmm -82.16 -36.41 27.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 113.848 -1.524 . . . . 0.0 110.429 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.519 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 8.1 tp10 -146.45 138.01 24.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.151 176.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.65 ' H ' ' HD2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -100.83 121.92 42.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.463 -177.162 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.9 m -104.09 133.46 49.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.875 0.369 . . . . 0.0 110.421 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.29 -10.57 43.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.571 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -76.96 -12.25 59.92 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.288 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.5 -2.12 23.49 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.286 -0.959 . . . . 0.0 113.493 174.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 3.6 p90 -121.44 154.3 36.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 117.681 0.741 . . . . 0.0 110.062 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.51 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 12.3 m-85 -123.52 164.33 19.19 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.851 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.7 t -90.49 155.93 3.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 171.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.483 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -152.63 153.9 25.17 Favored Glycine 0 C--N 1.302 -1.32 0 C-N-CA 119.557 -1.306 . . . . 0.0 113.069 -172.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 m -112.98 128.06 56.4 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.6 t -87.35 139.94 30.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.114 0.483 . . . . 0.0 110.507 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.636 ' HD3' ' HB ' ' A' ' 30' ' ' ILE . 46.2 mtm180 -73.75 -9.31 58.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.703 -176.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.411 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 72.5 mtp180 -66.34 -53.45 36.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.695 -172.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -138.64 19.93 2.7 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.483 0.658 . . . . 0.0 110.304 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 59.18 42.97 17.82 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.831 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.789 ' HG3' HD11 ' A' ' 23' ' ' LEU . 26.7 pt20 -96.43 156.17 16.45 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.496 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -117.22 113.01 21.6 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.072 0.463 . . . . 0.0 110.87 -171.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.609 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.41 150.24 20.2 Favored Glycine 0 C--O 1.221 -0.693 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.882 178.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.612 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.0 t -101.53 144.41 30.33 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 117.402 0.601 . . . . 0.0 110.422 178.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.443 ' CZ ' HG21 ' A' ' 31' ' ' VAL . 50.6 p90 -163.6 161.3 17.57 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 41' ' ' TRP . 43.6 Cg_exo -56.06 134.06 61.86 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 122.718 2.278 . . . . 0.0 112.485 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.32 -5.79 88.44 Favored Glycine 0 C--O 1.227 -0.315 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.139 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -92.21 25.72 2.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.344 0.592 . . . . 0.0 110.02 -178.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -125.86 -7.64 6.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.823 0.82 . . . . 0.0 109.336 -175.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.545 HG23 ' HA ' ' A' ' 11' ' ' ALA . 8.8 p -120.45 154.99 23.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.591 -175.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.607 ' HD3' HD21 ' A' ' 12' ' ' LEU . 40.1 mtpt -122.43 155.17 62.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -177.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -54.6 147.63 47.97 Favored 'Trans proline' 0 N--CA 1.473 0.304 0 C-N-CA 124.137 3.225 . . . . 0.0 113.565 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.642 HD23 ' HB2' ' A' ' 10' ' ' GLN . 52.2 mt -66.35 170.63 5.73 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.039 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.8 p90 . . . . . 0 C--O 1.244 0.791 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.011 174.868 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.444 -0.738 0 CA-C-O 121.396 0.617 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.588 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 23.8 m-85 -133.49 155.3 49.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.543 -176.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -109.21 130.11 55.49 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.645 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.46 138.97 37.77 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.533 0.682 . . . . 0.0 111.64 -171.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.473 HD21 ' HB3' ' A' ' 61' ' ' LYS . 14.5 mt -73.88 -33.8 64.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.299 -175.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -144.23 158.16 43.88 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.508 -174.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 m -73.61 135.37 43.83 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.531 174.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.733 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 50.5 t80 -121.72 133.27 54.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.964 -177.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.6 mm -103.23 127.54 29.51 Favored Pre-proline 0 C--N 1.313 -0.996 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.407 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.548 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 32.2 Cg_exo -54.91 132.91 54.91 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.965 2.443 . . . . 0.0 112.917 -175.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -93.11 -35.31 13.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 173.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.583 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 5.4 m-20 -116.88 152.22 34.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.559 -1.201 . . . . 0.0 108.583 176.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.88 1.81 25.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.012 0.435 . . . . 0.0 111.209 -178.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -88.49 -14.17 38.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.757 0.789 . . . . 0.0 108.934 170.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.583 ' HG3' ' HB2' ' A' ' 19' ' ' ASN . 84.1 mt-10 -88.05 171.87 9.96 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.357 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.678 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 16.7 tp -109.35 143.32 39.05 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.52 -172.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.548 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.1 tt0 -78.18 115.04 17.62 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 168.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.733 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -115.73 136.0 53.49 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.22 -167.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' A' ' 26' ' ' ARG . 17.3 mmt180 -116.07 152.26 33.94 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.281 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -58.11 134.45 56.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.428 0.632 . . . . 0.0 110.569 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.26 35.62 60.28 Favored Glycine 0 C--N 1.317 -0.504 0 CA-C-N 115.081 -0.963 . . . . 0.0 112.668 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -108.41 148.7 29.77 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 175.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.588 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -99.82 134.73 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.862 0.363 . . . . 0.0 110.389 -174.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.477 HG23 ' HA3' ' A' ' 44' ' ' GLY . 7.1 p -110.16 141.65 24.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-O 121.241 0.543 . . . . 0.0 111.287 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.641 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 32.7 t70 -133.09 119.2 19.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.285 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.887 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -75.97 124.12 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 122.054 0.93 . . . . 0.0 113.109 -168.035 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.465 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 12.8 mmt -91.27 -32.5 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 113.98 -1.463 . . . . 0.0 110.065 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -155.04 142.27 19.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.231 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.78 127.61 55.85 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.26 0.552 . . . . 0.0 112.276 -175.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.2 m -90.18 145.39 25.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -60.63 -24.58 65.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.732 -168.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.74 -23.26 53.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.397 . . . . 0.0 111.165 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.13 14.1 5.65 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.362 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -95.66 121.46 37.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.404 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 6.0 m-85 -114.65 159.95 19.9 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.2 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.887 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 11.3 t -91.1 155.89 3.04 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.864 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 173.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.641 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -155.93 154.87 25.86 Favored Glycine 0 C--N 1.298 -1.538 0 C-N-CA 120.007 -1.092 . . . . 0.0 112.322 -171.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 7.4 m -108.1 127.26 53.64 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.618 ' HB2' HD21 ' A' ' 23' ' ' LEU . 45.1 t -79.01 134.58 36.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.11 0.481 . . . . 0.0 110.786 -177.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.464 HH22 ' HB2' ' A' ' 32' ' ' ASP . 2.5 mpt_? -67.16 -9.45 40.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.671 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -77.89 -81.98 0.09 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.484 -177.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.6 t -95.63 8.81 42.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.498 -173.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.3 mptt 57.72 29.86 18.0 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 178.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -99.14 161.33 13.68 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.158 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.503 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 13.8 p90 -117.57 122.05 42.61 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.805 0.812 . . . . 0.0 110.346 -175.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.678 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -137.69 156.51 23.69 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.411 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.765 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 10.9 t -101.31 144.17 30.48 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 117.646 0.723 . . . . 0.0 111.08 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.473 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 50.2 p90 -160.05 165.2 18.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.872 177.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.455 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 32.5 Cg_exo -56.67 133.67 59.5 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.531 2.154 . . . . 0.0 113.236 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.87 -6.63 85.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.507 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -92.43 11.09 27.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.372 0.606 . . . . 0.0 110.122 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -117.92 0.12 11.83 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 122.519 1.152 . . . . 0.0 108.846 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.602 HG23 ' HA ' ' A' ' 11' ' ' ALA . 9.7 p -123.82 155.91 30.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.715 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.473 ' HB3' HD21 ' A' ' 12' ' ' LEU . 8.0 ptmm? -119.87 154.02 55.07 Favored Pre-proline 0 C--O 1.222 -0.365 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.931 -178.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -55.65 146.62 64.15 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.571 2.847 . . . . 0.0 112.974 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.556 HD21 HG13 ' A' ' 30' ' ' ILE . 69.4 mt -64.75 150.19 47.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.278 175.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.6 p90 . . . . . 0 N--CA 1.44 -0.973 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.385 -178.802 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.605 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 9.8 m-85 -126.63 155.05 43.15 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.699 -176.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.519 ' HB2' HD23 ' A' ' 63' ' ' LEU . 34.6 tt0 -109.72 129.43 55.61 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.745 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.97 138.97 37.19 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.503 0.668 . . . . 0.0 111.535 -171.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.06 -36.67 72.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.554 -176.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.478 ' HA ' ' OD2' ' A' ' 27' ' ' ASP . 89.3 m-85 -147.05 179.96 7.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.077 -176.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.514 ' HB3' ' H ' ' A' ' 27' ' ' ASP . 19.8 p -95.88 135.33 37.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.334 0.588 . . . . 0.0 111.753 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.753 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 65.4 t80 -110.78 137.25 48.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.172 -177.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 50.5 mm -105.62 125.09 34.22 Favored Pre-proline 0 C--N 1.318 -0.803 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 175.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.1 Cg_exo -58.61 133.44 54.33 Favored 'Trans proline' 0 N--CA 1.472 0.211 0 C-N-CA 123.078 2.519 . . . . 0.0 113.128 -176.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -81.56 -45.85 15.29 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 172.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -113.94 166.9 11.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.129 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.81 -15.04 61.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.003 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.465 ' O ' HG22 ' A' ' 54' ' ' THR . 28.8 m-20 -73.68 -23.72 59.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.729 176.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 54' ' ' THR . 17.9 mt-10 -82.94 163.1 21.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.266 -177.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.646 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 20.4 tp -105.33 143.46 33.47 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.238 -176.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.9 tt0 -77.21 115.13 16.73 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 172.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.753 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 1.7 tm? -108.67 136.63 47.94 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -170.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.456 ' HA ' ' CB ' ' A' ' 14' ' ' SER . 28.0 mmt180 -117.8 153.86 32.74 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 120.514 -0.475 . . . . 0.0 110.889 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.514 ' H ' ' HB3' ' A' ' 14' ' ' SER . 4.2 m-20 -53.25 131.94 38.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.369 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.61 38.04 95.74 Favored Glycine 0 CA--C 1.518 0.249 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.91 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.438 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 40.6 t0 -101.69 148.49 25.2 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 175.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.605 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.8 mp -99.48 133.8 41.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.952 0.406 . . . . 0.0 110.042 -175.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.482 ' HB ' ' HZ ' ' A' ' 55' ' ' PHE . 5.1 p -110.5 137.35 43.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.527 0.679 . . . . 0.0 111.05 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.614 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 18.3 t70 -124.8 116.33 22.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.128 175.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.89 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -75.96 123.26 31.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.896 0.855 . . . . 0.0 112.703 -169.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.8 mmm -87.52 -32.67 19.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.502 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.456 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 32.1 tt0 -151.92 142.51 22.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.858 -176.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -108.54 132.18 54.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.928 0.394 . . . . 0.0 111.912 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.9 m -98.93 125.59 44.4 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 165.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.72 -17.14 60.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.028 0.442 . . . . 0.0 111.579 -172.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.83 -13.89 58.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.908 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.21 -20.82 3.53 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 119.818 -1.182 . . . . 0.0 114.336 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -80.41 136.75 36.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.309 0.554 . . . . 0.0 110.64 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.445 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 8.9 m-85 -123.25 159.61 28.37 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 169.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.89 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 12.1 t -91.56 164.55 2.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 173.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.614 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -162.73 155.24 26.49 Favored Glycine 0 C--N 1.304 -1.208 0 C-N-CA 119.838 -1.173 . . . . 0.0 112.755 -173.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -110.2 127.05 54.74 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 175.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.517 ' HB3' HG22 ' A' ' 49' ' ' THR . 31.0 t -79.64 139.53 37.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 111.497 -177.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.465 ' HD3' ' O ' ' A' ' 30' ' ' ILE . 7.7 mpt_? -73.16 -11.84 60.67 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.709 177.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.429 ' HE ' ' HB3' ' A' ' 48' ' ' ARG . 23.2 mtp180 -100.7 -67.8 0.84 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.906 0.384 . . . . 0.0 111.907 -178.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.517 HG22 ' HB3' ' A' ' 46' ' ' SER . 13.4 t -76.85 -7.94 56.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.833 -172.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt 56.54 29.01 14.74 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.98 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -113.32 167.26 10.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.645 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -114.95 102.55 10.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.569 -172.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.646 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -133.45 153.33 20.76 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.584 -175.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.771 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.0 t -101.99 145.45 29.27 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.482 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 50.6 p90 -159.83 164.87 19.1 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.693 176.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 51.5 Cg_exo -54.41 132.79 52.87 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.229 1.953 . . . . 0.0 112.529 -178.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.8 22.7 34.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.696 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -127.39 21.93 6.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.895 0.855 . . . . 0.0 109.15 176.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -115.73 -4.22 12.18 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.698 HG23 ' HA ' ' A' ' 11' ' ' ALA . 12.4 p -121.28 155.17 25.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.269 -176.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.444 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 8.8 ptmm? -119.14 153.6 53.18 Favored Pre-proline 0 C--O 1.223 -0.341 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.221 -176.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.05 148.7 57.04 Favored 'Trans proline' 0 N--CA 1.474 0.377 0 C-N-CA 123.686 2.924 . . . . 0.0 113.114 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.519 HD23 ' HB2' ' A' ' 10' ' ' GLN . 69.0 mt -67.69 151.38 47.35 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.477 177.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--O 1.251 1.17 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.86 177.771 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.549 ' HB3' ' CG2' ' A' ' 30' ' ' ILE . 14.6 m . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 121.023 0.44 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.522 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 9.4 m-85 -124.05 154.04 40.48 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.642 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.472 ' HB2' HD23 ' A' ' 63' ' ' LEU . 29.3 tt0 -109.47 129.11 55.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.638 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.74 137.64 37.07 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.546 0.689 . . . . 0.0 111.102 -175.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.29 -40.51 97.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.356 -1.293 . . . . 0.0 111.659 -173.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.414 ' CZ ' ' HE1' ' A' ' 59' ' ' TYR . 42.0 p90 -151.32 -179.94 7.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.423 -177.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.6 p -83.45 137.82 33.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.025 0.44 . . . . 0.0 110.583 -178.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.719 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 53.8 t80 -125.68 137.28 53.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.202 -176.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 49.2 mm -108.43 129.58 23.84 Favored Pre-proline 0 C--N 1.315 -0.901 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.559 -179.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.57 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 31.5 Cg_exo -55.67 132.59 53.02 Favored 'Trans proline' 0 CA--C 1.52 -0.221 0 C-N-CA 122.962 2.442 . . . . 0.0 112.719 -175.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.483 ' C ' HD22 ' A' ' 19' ' ' ASN . 11.3 mt-30 -87.88 -36.6 17.09 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 175.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.483 HD22 ' C ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER -118.42 160.56 21.48 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.885 176.09 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -73.81 -13.69 60.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.88 0.372 . . . . 0.0 111.472 -175.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.37 -13.57 49.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.048 0.451 . . . . 0.0 110.593 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -83.98 166.84 17.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.561 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.67 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 17.4 tp -99.14 136.5 39.01 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.801 -173.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.57 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 8.1 tt0 -78.09 114.51 17.04 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 170.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.719 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -114.89 135.55 54.07 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.117 -164.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 28.6 mmt180 -110.14 152.54 25.91 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.437 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -60.15 131.56 51.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.211 0.529 . . . . 0.0 111.294 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.24 30.65 71.62 Favored Glycine 0 C--N 1.323 -0.189 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.577 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -91.76 145.33 24.66 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 175.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.549 ' CG2' ' HB3' ' A' ' 8' ' ' SER . 2.3 mp -99.43 129.95 49.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -178.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.479 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 7.3 p -119.5 144.17 28.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.174 0.511 . . . . 0.0 111.685 -176.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.533 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 29.4 m-20 -124.1 132.71 53.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.509 174.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.88 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.68 120.15 26.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 122.184 0.993 . . . . 0.0 111.491 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.77 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 85.3 mtp -83.03 -43.87 15.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 113.576 -1.647 . . . . 0.0 109.663 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.529 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 7.8 tp10 -141.34 147.34 37.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.079 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -107.79 128.69 54.82 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.871 -175.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.2 m -80.24 145.45 32.2 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 165.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -60.03 -19.55 53.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.283 -170.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -163.09 79.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.16 -86.14 0.15 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 119.674 -1.25 . . . . 0.0 114.23 170.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.443 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 11.2 m0 -84.53 146.85 27.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.323 0.583 . . . . 0.0 111.85 -170.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.512 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 13.9 m-85 -123.52 162.47 22.86 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 168.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.88 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.7 t -91.07 153.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 175.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -144.63 155.33 26.33 Favored Glycine 0 C--N 1.304 -1.206 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.756 -169.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.0 m -124.61 126.65 46.11 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.642 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.472 ' HB3' ' HG2' ' A' ' 48' ' ' ARG . 31.5 m -83.81 139.91 32.38 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -62.57 -18.27 61.77 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 114.935 -1.03 . . . . 0.0 113.558 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.784 ' HG3' HG22 ' A' ' 49' ' ' THR . 16.7 ptm180 -61.3 -48.9 79.25 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -174.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.784 HG22 ' HG3' ' A' ' 48' ' ' ARG . 13.3 t -152.33 20.34 0.65 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.847 0.356 . . . . 0.0 111.378 -173.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm 55.72 35.0 24.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.416 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.604 ' HG3' HD11 ' A' ' 23' ' ' LEU . 13.6 pt20 -81.86 152.91 26.65 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 174.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.654 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 14.3 p90 -120.56 119.22 32.3 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-O 121.933 0.873 . . . . 0.0 110.75 -170.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.67 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.71 150.65 20.62 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.782 177.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 6.3 t -102.02 143.96 31.22 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 117.379 0.59 . . . . 0.0 110.685 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.479 ' CZ ' HG21 ' A' ' 31' ' ' VAL . 52.2 p90 -164.16 164.88 13.86 Favored Pre-proline 0 CA--C 1.531 0.225 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.937 177.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 36.1 Cg_exo -57.78 134.11 60.62 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.47 2.114 . . . . 0.0 112.722 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.96 -2.66 89.52 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.132 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -92.94 15.79 14.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.287 0.565 . . . . 0.0 109.75 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.414 ' HE1' ' CZ ' ' A' ' 13' ' ' TYR . 2.9 t80 -114.79 -13.33 12.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.985 -174.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.611 HG23 ' HA ' ' A' ' 11' ' ' ALA . 12.6 p -119.12 153.01 21.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.347 -173.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.483 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 8.6 ptmm? -117.75 156.66 49.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.236 -174.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 14.3 Cg_endo -54.66 148.71 43.45 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 123.525 2.817 . . . . 0.0 112.703 177.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 8' ' ' SER . 67.9 mt -62.19 140.58 58.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.302 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--O 1.248 0.997 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.858 178.206 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 m -97.46 -54.23 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.7 0.286 . . . . 0.0 110.497 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -61.97 -58.6 7.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.374 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 64.52 115.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 O-C-N 124.075 0.859 . . . . 0.0 112.501 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -86.0 -162.69 0.77 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.354 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.2 mt -83.33 -172.7 4.29 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -126.59 169.45 13.08 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.109 0.48 . . . . 0.0 110.501 -176.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.702 ' HB2' HD11 ' A' ' 63' ' ' LEU . 4.2 m -108.95 144.74 36.52 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.836 -176.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.587 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 15.2 m-85 -125.35 153.08 43.88 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.303 -178.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -108.28 127.9 54.27 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 176.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.757 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.55 139.22 37.6 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.94 -171.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.2 -42.0 89.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.809 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.407 ' CZ ' ' HE2' ' A' ' 59' ' ' TYR . 35.5 p90 -152.07 -179.48 7.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.007 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.475 ' HB3' ' H ' ' A' ' 27' ' ' ASP . 29.8 p -83.54 150.16 26.13 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.344 0.592 . . . . 0.0 111.78 -176.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.655 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 58.4 t80 -134.18 137.5 44.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.866 -174.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.6 mm -107.27 128.08 26.68 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.554 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 31.0 Cg_exo -59.74 132.67 46.69 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.667 2.245 . . . . 0.0 112.378 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -104.37 -29.62 10.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.152 0.977 . . . . 0.0 108.843 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -113.73 151.63 31.65 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.033 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -73.73 0.12 13.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.841 0.353 . . . . 0.0 111.196 -177.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.526 ' O ' HG22 ' A' ' 54' ' ' THR . 10.6 m-20 -97.73 -14.34 20.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.577 175.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -83.88 169.65 14.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.468 0.651 . . . . 0.0 111.725 -176.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.713 HD11 ' HG3' ' A' ' 51' ' ' GLN . 19.6 tp -110.61 140.85 44.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.626 -174.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.554 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.6 tt0 -77.92 116.02 18.1 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 172.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.757 HD11 ' CB ' ' A' ' 11' ' ' ALA . 1.1 tm? -110.28 135.68 50.64 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.747 -170.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.582 ' N ' HD13 ' A' ' 25' ' ' LEU . 26.1 mmt180 -116.13 146.5 42.21 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.754 0.312 . . . . 0.0 110.18 176.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.475 ' H ' ' HB3' ' A' ' 14' ' ' SER . 0.8 OUTLIER -50.64 124.17 10.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.42 -176.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.24 30.44 60.76 Favored Glycine 0 C--O 1.228 -0.239 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.984 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -88.75 150.96 22.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.587 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.4 mp -100.11 139.56 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.0 141.7 45.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.366 0.603 . . . . 0.0 111.41 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.538 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 3.6 m-20 -125.51 126.26 44.58 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.726 -1.124 . . . . 0.0 108.663 174.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.831 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.32 126.54 37.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 122.117 0.96 . . . . 0.0 112.611 -171.465 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.793 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 93.4 mmm -81.25 -37.21 28.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.024 177.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -158.84 142.15 14.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.173 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.656 ' H ' ' HD2' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -91.53 128.05 37.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.974 -179.666 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.8 m -95.12 131.66 40.89 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 172.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -70.09 -12.42 61.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.392 -173.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -78.51 -12.99 60.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.88 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.08 -14.0 4.92 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 119.481 -1.342 . . . . 0.0 115.349 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.461 ' HB3' ' HA ' ' A' ' 56' ' ' PRO . 3.9 p90 -113.98 163.48 15.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.795 1.298 . . . . 0.0 110.636 -176.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.45 ' CE2' ' HA3' ' A' ' 57' ' ' GLY . 8.4 m-85 -124.55 166.49 15.97 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.831 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.3 t -90.64 155.73 3.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 169.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.538 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -156.46 153.48 24.75 Favored Glycine 0 C--N 1.303 -1.251 0 C-N-CA 119.371 -1.395 . . . . 0.0 113.068 -174.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 9.4 m -110.76 128.96 55.94 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.407 ' HB2' HD21 ' A' ' 23' ' ' LEU . 35.1 t -78.77 139.64 38.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.339 0.59 . . . . 0.0 110.912 -178.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.55 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -70.67 -10.67 59.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.254 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -72.89 -88.37 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.179 0.514 . . . . 0.0 111.346 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.531 HG23 ' HG2' ' A' ' 51' ' ' GLN . 2.6 t -98.15 15.9 22.91 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.528 -175.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm 60.73 33.16 20.25 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.362 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.713 ' HG3' HD11 ' A' ' 23' ' ' LEU . 11.2 pt20 -92.72 153.32 19.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.222 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.507 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 6.0 p90 -117.13 121.01 40.08 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.728 0.775 . . . . 0.0 110.283 -176.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.655 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.5 156.96 23.36 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 114.749 -1.114 . . . . 0.0 111.448 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.616 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.8 t -101.69 143.94 31.01 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 117.675 0.737 . . . . 0.0 110.731 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.506 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 50.1 p90 -166.59 166.54 8.92 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.9 177.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.506 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 53.1 Cg_exo -52.86 133.78 52.36 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.666 2.244 . . . . 0.0 112.938 -178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.45 ' HA3' ' CE2' ' A' ' 42' ' ' PHE . . . -87.36 -9.11 73.33 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.789 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -99.46 11.39 39.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.03 0.919 . . . . 0.0 109.006 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.546 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 3.5 t80 -100.24 -11.22 20.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.374 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.699 HG23 ' HA ' ' A' ' 11' ' ' ALA . 13.5 p -120.22 156.8 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.923 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.603 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.493 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 15.3 ptmt -120.97 160.74 43.71 Favored Pre-proline 0 C--N 1.324 -0.503 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.654 -176.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.493 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 11.3 Cg_endo -52.26 142.9 44.85 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.16 2.573 . . . . 0.0 111.558 175.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 8' ' ' SER . 82.4 mt -47.38 127.95 11.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.677 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.251 1.133 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.445 -175.577 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.9 m -130.14 32.23 4.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.349 0.595 . . . . 0.0 110.787 -173.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -72.79 -15.17 61.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.491 0.663 . . . . 0.0 109.818 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -132.78 138.59 47.2 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.498 174.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -86.27 142.78 28.3 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.191 0.519 . . . . 0.0 110.066 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.49 HD13 HG13 ' A' ' 33' ' ' VAL . 32.6 mt -92.17 177.75 6.06 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.8 -175.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -113.75 162.19 16.6 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.51 -175.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.9 m -105.81 144.79 32.06 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.388 -0.824 . . . . 0.0 108.861 175.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.526 ' HB3' HG22 ' A' ' 60' ' ' VAL . 13.4 m-85 -126.34 154.89 42.89 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -177.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.482 ' HB2' HD23 ' A' ' 63' ' ' LEU . 29.7 tt0 -108.94 126.16 52.79 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.667 ' HA ' HG23 ' A' ' 60' ' ' VAL . . . -79.53 133.86 36.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.493 0.664 . . . . 0.0 110.753 -174.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.511 HD21 ' CD ' ' A' ' 61' ' ' LYS . 16.7 mt -65.56 -36.96 85.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.529 -171.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -150.36 169.01 22.42 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.23 -176.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.7 p -78.13 143.03 37.64 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.902 0.382 . . . . 0.0 110.223 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.583 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 5.6 t80 -130.93 130.09 43.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 -172.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 51.5 mm -94.48 127.16 45.12 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 52.2 Cg_exo -52.44 135.97 55.45 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.561 2.841 . . . . 0.0 113.353 -176.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -87.34 -36.55 17.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -122.24 158.99 28.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.983 178.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -74.75 -9.68 58.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -82.34 -17.31 46.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.104 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -93.29 171.66 8.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.577 0.704 . . . . 0.0 111.567 -173.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.685 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 23.6 tp -98.4 142.7 29.71 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.845 -174.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.527 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 7.0 tt0 -77.36 115.45 17.15 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 169.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.666 HD11 ' CB ' ' A' ' 11' ' ' ALA . 2.0 tm? -102.0 135.92 42.73 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.961 -170.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.516 ' HB2' ' HD3' ' A' ' 48' ' ' ARG . 25.6 mmt180 -119.58 148.16 43.64 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.12 137.4 58.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.233 0.54 . . . . 0.0 111.834 -173.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.39 24.53 76.79 Favored Glycine 0 CA--C 1.509 -0.304 0 CA-C-N 114.867 -1.06 . . . . 0.0 112.707 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.499 ' HB2' ' O ' ' A' ' 26' ' ' ARG . 7.8 t0 -88.3 142.23 27.91 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.552 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 2.5 mp -98.65 129.25 49.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.45 HG23 ' HA3' ' A' ' 44' ' ' GLY . 3.3 p -109.52 135.07 49.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-O 121.551 0.691 . . . . 0.0 111.191 -176.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.472 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 3.8 m-20 -121.05 124.68 45.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.787 174.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.902 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -76.38 120.57 26.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.708 0.766 . . . . 0.0 112.008 -175.118 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.682 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 22.8 mmt -82.72 -36.7 25.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.172 178.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.5 ' O ' HG23 ' A' ' 43' ' ' VAL . 7.5 tp10 -156.55 152.97 27.96 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -98.41 124.95 43.38 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.149 0.5 . . . . 0.0 111.254 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.8 m -82.46 135.97 35.01 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -61.4 -21.38 64.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.734 -173.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -63.21 -33.31 75.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 0.0 110.703 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.93 -0.14 7.14 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.276 -175.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.446 ' CE3' ' HA ' ' A' ' 56' ' ' PRO . 4.7 m95 -93.14 162.12 14.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.504 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 5.8 m-85 -127.37 162.47 26.23 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 176.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.902 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.9 t -89.23 151.63 3.45 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.718 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -150.27 155.65 26.32 Favored Glycine 0 C--N 1.304 -1.24 0 C-N-CA 119.858 -1.163 . . . . 0.0 112.95 -170.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.1 m -115.99 127.84 55.25 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.752 -0.263 . . . . 0.0 110.59 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 11.4 t -79.1 129.56 34.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.149 0.499 . . . . 0.0 110.837 178.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.583 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -79.75 -22.17 43.58 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.288 176.658 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.516 ' HD3' ' HB2' ' A' ' 26' ' ' ARG . 40.5 mtp180 -87.11 -40.87 14.25 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.495 -174.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.6 t -110.48 2.98 19.19 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.726 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 46' ' ' SER . 68.6 mmtt 51.02 41.09 26.94 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 176.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -118.87 161.16 20.63 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -117.39 117.22 28.9 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.869 0.843 . . . . 0.0 110.134 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.685 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.92 157.24 23.65 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.551 -179.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.583 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.8 t -101.55 143.22 31.8 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 117.508 0.654 . . . . 0.0 110.612 178.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.509 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 52.3 p90 -164.9 168.02 9.2 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.476 -177.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.509 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 52.3 Cg_exo -54.55 134.08 60.08 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.331 2.021 . . . . 0.0 113.248 -178.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.85 -7.95 59.59 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.044 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -94.35 26.35 3.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.688 0.756 . . . . 0.0 109.437 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -123.57 -10.58 7.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.086 -175.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.667 HG23 ' HA ' ' A' ' 11' ' ' ALA . 14.0 p -118.31 156.5 20.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.319 -171.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.511 ' CD ' HD21 ' A' ' 12' ' ' LEU . 33.0 mtpt -116.48 153.07 48.83 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.925 0.393 . . . . 0.0 111.747 -176.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -56.72 147.93 68.6 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.743 2.962 . . . . 0.0 112.103 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' A' ' 10' ' ' GLN . 80.8 mt -60.02 126.95 29.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.41 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.5 t80 . . . . . 0 C--O 1.25 1.13 0 O-C-N 124.668 1.23 . . . . 0.0 112.244 -177.33 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.78 0.324 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m -88.76 63.1 6.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.238 0.542 . . . . 0.0 110.755 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -78.99 -45.94 19.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.589 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 53.69 94.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.641 176.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -72.12 169.77 15.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.378 174.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.413 HD12 HG11 ' A' ' 33' ' ' VAL . 33.4 mt -83.1 -149.96 0.1 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.653 -175.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -101.72 162.43 12.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.347 -175.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.719 ' HB2' HD11 ' A' ' 63' ' ' LEU . 3.5 m -91.23 145.07 24.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.5 177.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.601 ' HB3' HG22 ' A' ' 60' ' ' VAL . 35.0 m-85 -127.88 154.76 45.13 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.617 ' HB2' HD23 ' A' ' 63' ' ' LEU . 45.9 tt0 -109.34 127.28 54.2 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.703 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -80.02 138.45 37.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.493 0.663 . . . . 0.0 112.041 -170.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.445 HD21 ' HB3' ' A' ' 61' ' ' LYS . 10.6 mt -72.92 -36.01 67.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.821 -176.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -140.38 172.78 12.24 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.451 -174.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.5 p -92.28 133.9 35.41 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.404 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.748 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 36.7 t80 -108.94 129.17 55.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.381 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 49.7 mm -103.8 125.55 34.35 Favored Pre-proline 0 C--N 1.315 -0.894 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.52 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.1 Cg_exo -57.13 133.0 54.81 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 123.052 2.501 . . . . 0.0 113.112 -176.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -92.45 -41.66 10.17 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 172.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -114.38 159.02 20.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.06 -1.427 . . . . 0.0 108.623 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.09 -14.84 61.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.349 0.595 . . . . 0.0 109.692 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.428 ' O ' HG22 ' A' ' 54' ' ' THR . 24.8 m-20 -71.54 -24.58 61.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.941 174.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -84.63 158.9 20.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.3 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.656 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 21.6 tp -101.9 145.8 28.72 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.504 -174.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.52 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.7 tt0 -77.8 115.04 17.24 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 170.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.748 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 2.6 tm? -111.89 134.85 53.18 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -173.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.436 ' HG3' ' CD ' ' A' ' 48' ' ' ARG . 16.5 mmt180 -112.94 157.73 21.11 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.122 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -58.59 132.95 55.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.178 0.514 . . . . 0.0 110.438 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.51 30.97 78.74 Favored Glycine 0 C--N 1.319 -0.375 0 CA-C-N 115.273 -0.876 . . . . 0.0 113.249 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -93.26 150.07 20.76 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.586 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 2.4 mp -100.0 134.44 39.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -176.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.494 ' HB ' ' HZ ' ' A' ' 55' ' ' PHE . 2.8 p -111.11 128.5 67.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.646 0.736 . . . . 0.0 111.487 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -115.76 120.44 39.32 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.527 -1.215 . . . . 0.0 108.181 171.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.887 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.29 122.1 29.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 122.018 0.913 . . . . 0.0 112.653 -172.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.678 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 94.8 mmm -81.82 -41.3 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 113.559 -1.655 . . . . 0.0 109.946 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.432 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 27.3 tt0 -144.92 145.39 31.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.71 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 34.0 mtmt -105.17 127.48 52.93 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.844 -171.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.645 ' HB2' ' O ' ' A' ' 41' ' ' TRP . 69.1 m -87.21 141.8 28.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 167.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.19 -5.97 31.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.454 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -165.9 93.66 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.654 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.97 -72.17 0.47 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.109 -1.043 . . . . 0.0 114.562 165.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.645 ' O ' ' HB2' ' A' ' 37' ' ' CYS . 16.0 m0 -104.85 152.05 23.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.159 0.504 . . . . 0.0 111.425 -170.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.457 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 13.5 m-85 -123.84 163.36 21.4 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 163.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.887 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.5 t -90.91 152.18 3.38 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 174.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -145.16 155.16 26.35 Favored Glycine 0 C--N 1.303 -1.283 0 C-N-CA 119.863 -1.16 . . . . 0.0 113.037 -171.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.1 m -113.07 128.03 56.38 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 175.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.471 ' N ' HD21 ' A' ' 23' ' ' LEU . 30.5 t -79.0 135.32 36.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.094 0.473 . . . . 0.0 110.548 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.601 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -76.11 -8.83 57.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.546 -179.724 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.436 ' CD ' ' HG3' ' A' ' 26' ' ' ARG . 39.3 mtp180 -84.29 -79.88 0.21 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.013 0.435 . . . . 0.0 110.996 177.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 t -82.7 -3.03 55.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.549 -173.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm 60.05 29.65 19.2 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.593 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -97.17 166.23 11.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.773 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -115.66 109.02 17.15 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.12 -173.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.656 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -134.26 155.74 22.03 Favored Glycine 0 C--O 1.221 -0.711 0 C-N-CA 121.111 -0.566 . . . . 0.0 111.958 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 6.9 t -102.29 144.52 30.69 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 117.201 0.5 . . . . 0.0 111.049 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.494 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 49.1 p90 -161.6 162.13 21.55 Favored Pre-proline 0 C--O 1.233 0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.989 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 51.7 Cg_exo -54.35 134.16 59.74 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.661 2.241 . . . . 0.0 113.098 -177.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.41 7.03 82.86 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.356 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -113.69 26.27 10.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 122.291 1.043 . . . . 0.0 108.977 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -120.71 -1.37 10.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.404 1.097 . . . . 0.0 108.134 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.693 HG23 ' HA ' ' A' ' 11' ' ' ALA . 11.7 p -123.37 158.84 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 114.259 -1.337 . . . . 0.0 109.787 -174.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.569 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 15.2 ptmt -123.25 163.59 33.01 Favored Pre-proline 0 C--O 1.226 -0.175 0 O-C-N 122.367 -0.208 . . . . 0.0 110.495 -177.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.569 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 12.2 Cg_endo -54.6 145.55 58.38 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 123.204 2.602 . . . . 0.0 112.503 176.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.719 HD11 ' HB2' ' A' ' 8' ' ' SER . 65.2 mt -52.68 140.81 22.53 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.308 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.148 179.499 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 121.089 0.471 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 m -60.46 -39.67 88.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.092 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 m -154.61 -175.99 5.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.661 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -79.04 105.37 10.32 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 177.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -77.86 155.82 30.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.63 -177.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 6' ' ' LEU . 46.3 mt -86.65 -166.74 1.65 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.127 -176.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -123.27 166.49 15.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.457 -176.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.787 ' HB2' HD11 ' A' ' 63' ' ' LEU . 4.9 m -104.87 146.18 29.37 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 17.9 m-85 -120.82 150.67 40.67 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.038 -178.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.725 ' HB2' HD23 ' A' ' 63' ' ' LEU . 52.5 tt0 -109.55 128.94 55.56 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.615 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.89 139.39 37.13 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.34 0.591 . . . . 0.0 111.736 -171.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.84 -45.76 88.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.812 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -152.27 178.91 9.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.715 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -77.43 140.22 39.83 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.228 0.537 . . . . 0.0 111.756 -174.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.725 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 42.4 t80 -127.65 139.88 52.44 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.819 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.2 mm -106.66 131.61 21.57 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.08 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.6 Cg_exo -57.82 133.35 55.55 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.889 2.393 . . . . 0.0 112.758 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -85.5 -36.2 20.69 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 173.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -126.48 163.46 23.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.129 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.6 -5.94 56.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.297 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.466 ' O ' HG22 ' A' ' 54' ' ' THR . 3.3 p30 -86.76 -14.29 42.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.064 0.459 . . . . 0.0 109.807 172.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 54' ' ' THR . 30.5 mt-10 -84.75 171.52 12.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.098 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.669 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 19.5 tp -111.05 139.0 46.77 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.472 -174.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.541 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.6 tt0 -77.27 116.17 17.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 170.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.725 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -112.85 135.57 53.46 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.704 -168.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.88 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 22.6 mmt180 -116.37 159.38 22.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.812 0.339 . . . . 0.0 110.522 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -58.72 136.03 57.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.588 0.709 . . . . 0.0 111.957 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.95 26.38 68.92 Favored Glycine 0 C--N 1.323 -0.14 0 CA-C-N 114.751 -1.113 . . . . 0.0 113.212 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -90.47 149.63 22.14 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.611 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 2.2 mp -99.76 140.41 19.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -176.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.491 HG23 ' HA3' ' A' ' 44' ' ' GLY . 3.5 p -119.12 130.84 73.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.532 0.682 . . . . 0.0 111.261 177.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.617 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 10.3 m-20 -114.88 121.82 44.39 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.527 173.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.896 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -75.92 121.43 27.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 122.021 0.915 . . . . 0.0 112.476 -172.426 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.731 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 92.3 mmm -81.7 -39.11 24.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 113.825 -1.534 . . . . 0.0 109.54 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.38 155.15 38.06 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 121.501 0.667 . . . . 0.0 110.63 175.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 22.7 mtmt -106.4 132.74 52.08 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.534 -1.212 . . . . 0.0 112.192 -171.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.3 m -107.5 135.06 49.61 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 168.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.17 -19.42 64.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.969 -173.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -68.96 -15.83 63.58 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.27 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.13 17.35 16.26 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.434 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -107.18 137.62 44.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.44 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 6.8 m-85 -125.02 164.44 20.15 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.176 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.896 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.5 t -90.51 156.32 3.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 169.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.617 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -157.46 154.65 25.72 Favored Glycine 0 C--N 1.305 -1.157 0 C-N-CA 119.232 -1.461 . . . . 0.0 113.339 -172.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 9.9 m -110.79 129.35 55.87 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 173.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.462 ' CB ' HG22 ' A' ' 49' ' ' THR . 30.8 t -78.5 132.73 37.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.126 0.488 . . . . 0.0 110.79 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.621 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -77.48 -19.47 55.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.729 179.564 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.88 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 52.6 mtt-85 -87.52 -65.56 1.0 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.373 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.462 HG22 ' CB ' ' A' ' 46' ' ' SER . 7.6 t -84.39 -4.33 58.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.595 -171.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt 57.72 30.61 19.19 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.973 175.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.8 160.77 17.02 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 1.6 p90 -116.91 114.2 23.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.789 0.804 . . . . 0.0 109.974 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.669 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -137.35 157.92 24.17 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 114.821 -1.082 . . . . 0.0 111.945 -177.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.8 t -101.19 145.72 28.44 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 117.341 0.571 . . . . 0.0 110.198 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.493 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 53.1 p90 -163.42 166.93 12.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.493 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 32.1 Cg_exo -56.23 133.36 57.54 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.388 2.059 . . . . 0.0 112.821 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.23 -6.66 81.15 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.725 176.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -94.68 26.45 3.5 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.456 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 7.0 t80 -129.88 -5.5 4.53 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.954 0.883 . . . . 0.0 109.116 -177.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.59 HG23 ' HA ' ' A' ' 11' ' ' ALA . 10.9 p -120.61 157.8 23.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.084 -0.962 . . . . 0.0 108.944 -176.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.437 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 9.7 ptmm? -124.15 158.79 59.56 Favored Pre-proline 0 C--N 1.33 -0.28 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.966 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 9.8 Cg_endo -51.8 143.16 39.55 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 123.322 2.681 . . . . 0.0 112.332 175.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.787 HD11 ' HB2' ' A' ' 8' ' ' SER . 70.5 mt -52.96 141.68 21.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.831 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.2 t80 . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.996 173.827 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 p -86.94 93.77 9.42 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.144 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 m -61.91 139.65 58.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.995 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 65.65 100.98 0.04 OUTLIER 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.57 -173.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -82.7 -179.46 7.44 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.907 -174.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.6 mt -76.84 -165.15 0.5 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.293 0.568 . . . . 0.0 110.822 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.525 ' HD1' ' HE1' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -134.48 143.23 47.38 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.118 178.641 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.614 ' HB2' HD11 ' A' ' 63' ' ' LEU . 5.1 m -114.07 145.9 40.97 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.214 -174.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.576 ' HB3' HG22 ' A' ' 60' ' ' VAL . 25.4 m-85 -127.98 154.43 45.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.778 -179.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.688 ' HB2' HD23 ' A' ' 63' ' ' LEU . 35.5 tt0 -110.06 129.99 55.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.688 ' HA ' HG23 ' A' ' 60' ' ' VAL . . . -80.36 139.08 36.72 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.383 0.611 . . . . 0.0 112.373 -169.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.509 ' CD2' ' HD2' ' A' ' 61' ' ' LYS . 15.2 mt -74.19 -33.59 63.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.379 -177.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -139.2 168.33 20.06 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -177.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.3 p -87.57 134.79 33.57 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 123.462 0.476 . . . . 0.0 110.401 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.681 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 21.6 t80 -110.21 133.88 52.79 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -176.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.7 mm -107.91 128.06 26.5 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.617 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 31.5 Cg_exo -55.49 133.07 55.94 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.859 2.373 . . . . 0.0 112.775 -176.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HB2' HE21 ' A' ' 18' ' ' GLN . 7.9 mt-30 -106.83 -32.09 8.09 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -114.88 161.44 18.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.772 -1.103 . . . . 0.0 109.545 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.56 -17.64 61.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.713 -173.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -101.02 3.87 41.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.929 0.395 . . . . 0.0 111.011 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -87.2 171.4 10.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.063 0.458 . . . . 0.0 110.553 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.635 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 16.3 tp -111.49 141.04 45.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.404 -170.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.617 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 5.2 tt0 -81.54 114.7 20.44 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 169.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.681 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 2.8 tm? -120.05 135.07 55.07 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.901 -165.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.947 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 18.4 tpt180 -100.49 154.21 18.73 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -64.06 139.38 58.76 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.57 28.6 72.73 Favored Glycine 0 C--N 1.316 -0.564 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.002 -176.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.529 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 28.7 t0 -95.45 151.74 19.02 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.535 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.2 mp -99.2 133.21 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.83 0.348 . . . . 0.0 110.192 -175.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.55 146.74 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.417 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.609 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 4.0 m-20 -128.21 131.0 48.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.887 175.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.924 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.75 121.14 28.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 122.127 0.965 . . . . 0.0 112.33 -176.027 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.604 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 18.6 mmt -88.01 -36.57 16.94 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 114.106 -1.406 . . . . 0.0 110.487 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -146.88 145.22 29.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -106.49 133.24 51.48 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.605 -173.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.3 t -85.98 148.39 25.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.321 0.582 . . . . 0.0 109.856 170.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.69 -24.29 66.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.549 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -173.37 78.99 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.025 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.43 -87.24 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.183 -1.008 . . . . 0.0 112.479 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -133.72 173.21 11.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.043 0.449 . . . . 0.0 111.485 -175.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.465 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 13.5 m-85 -117.83 164.16 15.44 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 169.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.924 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.5 t -89.78 155.78 3.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 174.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.609 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -149.7 155.98 26.54 Favored Glycine 0 C--N 1.303 -1.253 0 C-N-CA 119.868 -1.158 . . . . 0.0 113.408 -168.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.1 m -117.4 127.42 54.02 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.3 t -88.26 139.93 30.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.954 0.407 . . . . 0.0 111.333 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.529 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . 4.4 mpt_? -71.02 -9.11 57.47 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.257 177.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.947 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 48.7 mtp180 -72.15 -63.56 1.12 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.117 0.484 . . . . 0.0 111.544 -174.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.576 HG23 ' HG2' ' A' ' 51' ' ' GLN . 9.4 t -123.19 14.04 9.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.614 0.721 . . . . 0.0 110.281 -177.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 51.18 38.25 20.57 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.009 -0.996 . . . . 0.0 112.835 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.59 ' HG3' ' CD1' ' A' ' 23' ' ' LEU . 4.1 pt20 -95.97 166.25 11.87 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -115.37 107.8 15.69 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.273 -171.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.635 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -134.08 153.26 20.86 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.794 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 11.9 t -101.91 146.39 27.91 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 117.165 0.482 . . . . 0.0 110.74 -176.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.473 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 50.6 p90 -165.1 162.13 14.31 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.372 175.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 57.0 Cg_exo -51.54 134.68 46.76 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.957 2.438 . . . . 0.0 113.597 -175.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.43 -9.52 75.62 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.559 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -98.91 21.65 11.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.647 0.737 . . . . 0.0 109.697 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -116.01 -6.72 11.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.757 -1.11 . . . . 0.0 108.625 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.688 HG23 ' HA ' ' A' ' 11' ' ' ALA . 12.0 p -122.49 156.28 27.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.229 -176.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.702 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 17.9 ptmt -125.68 164.08 34.97 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.774 0.321 . . . . 0.0 111.183 -174.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.702 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 18.1 Cg_endo -57.69 141.53 95.56 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 123.347 2.698 . . . . 0.0 112.668 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.688 HD23 ' HB2' ' A' ' 10' ' ' GLN . 64.6 mt -55.57 152.11 9.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.299 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 . . . . . 0 C--O 1.247 0.922 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.251 175.921 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.727 0.299 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 m -95.13 -29.88 14.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.84 0.353 . . . . 0.0 111.548 -174.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 p -114.16 -55.87 2.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.421 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 59.84 88.64 0.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.749 0.656 . . . . 0.0 110.931 -175.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 t70 60.13 -148.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.308 -176.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 6' ' ' LEU . 55.9 mt -71.58 -166.91 0.22 Allowed 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.337 0.589 . . . . 0.0 111.359 176.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -102.22 171.21 7.61 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.237 -175.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m -95.95 142.65 27.93 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.478 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.593 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 7.5 m-85 -127.4 155.04 44.26 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.714 -176.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.544 ' HB2' HD23 ' A' ' 63' ' ' LEU . 9.0 tt0 -110.38 132.89 53.78 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.629 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.7 138.69 37.41 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.453 0.644 . . . . 0.0 111.493 -171.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -74.74 -32.51 62.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.67 -175.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.438 ' HB2' ' OH ' ' A' ' 59' ' ' TYR . 67.5 m-85 -141.09 177.99 7.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.39 -176.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 m -86.06 135.01 33.79 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.672 170.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.719 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 34.2 t80 -123.42 132.22 53.88 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.871 -176.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.9 mm -103.73 131.6 21.85 Favored Pre-proline 0 C--N 1.312 -1.062 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.899 -176.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 36.8 Cg_exo -55.25 131.78 48.35 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.979 2.452 . . . . 0.0 112.814 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.4 ' HB2' HE21 ' A' ' 18' ' ' GLN . 8.7 mt-30 -90.05 -37.98 13.9 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.041 176.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.441 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 5.1 m-20 -115.15 166.17 12.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.137 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -71.57 -18.67 62.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.057 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -83.96 -12.47 55.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.003 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.54 ' HA ' ' O ' ' A' ' 54' ' ' THR . 72.2 mt-10 -84.47 166.72 17.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.625 0.726 . . . . 0.0 111.949 -174.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.7 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 22.3 tp -107.35 142.38 37.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.315 -174.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.539 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 4.0 tt0 -78.87 116.67 19.35 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.037 174.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.719 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -113.18 135.57 53.67 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.704 -169.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.534 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 22.7 mmt180 -117.96 157.61 26.42 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 177.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -55.04 138.79 43.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.028 0.442 . . . . 0.0 111.019 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.37 34.84 89.11 Favored Glycine 0 C--N 1.32 -0.325 0 CA-C-N 115.336 -0.847 . . . . 0.0 113.601 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.534 ' HB2' ' O ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -98.5 155.99 17.0 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 175.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.593 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -104.51 135.98 39.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 p -110.65 128.99 66.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.606 0.717 . . . . 0.0 111.31 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.416 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 9.0 m-20 -120.46 116.49 25.55 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.339 -1.301 . . . . 0.0 108.108 173.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.931 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.8 124.24 34.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.884 0.85 . . . . 0.0 112.261 -172.172 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.601 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 95.7 mmm -87.77 -35.37 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.181 178.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.528 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 12.1 tp10 -148.58 144.46 27.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.68 177.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -107.33 108.06 19.27 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.933 -176.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.6 m -85.65 122.16 29.36 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.92 -5.82 6.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.78 -176.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -86.19 3.8 41.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.058 0.456 . . . . 0.0 110.781 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.96 4.76 31.3 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.722 -0.752 . . . . 0.0 113.637 173.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.417 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 21.1 m95 -114.52 138.48 50.57 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -177.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.42 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 6.0 m-85 -116.27 160.53 20.32 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 168.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.931 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.0 t -90.91 155.89 3.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 176.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -149.57 154.28 25.65 Favored Glycine 0 C--N 1.301 -1.392 0 C-N-CA 120.185 -1.007 . . . . 0.0 112.159 -173.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.1 m -110.91 129.8 55.77 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.4 t -78.27 128.51 33.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.961 0.41 . . . . 0.0 110.967 -177.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.564 ' HD3' ' O ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -80.37 16.86 1.18 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.905 177.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 48' ' ' ARG . 52.9 mtp180 -103.5 -67.92 0.86 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.679 176.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.0 t -111.22 14.49 21.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.797 -171.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt 58.51 31.88 21.51 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -103.62 164.82 11.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.907 0.384 . . . . 0.0 111.071 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -117.78 112.9 21.03 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.343 -173.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.7 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.02 152.5 21.09 Favored Glycine 0 C--O 1.223 -0.547 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.889 178.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 8.9 t -102.07 143.81 31.44 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 117.494 0.647 . . . . 0.0 110.406 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.42 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 45.4 p90 -158.92 163.99 22.41 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.083 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 32.5 Cg_exo -56.92 133.26 56.79 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.496 2.13 . . . . 0.0 112.601 -177.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.412 ' HA3' ' CE2' ' A' ' 42' ' ' PHE . . . -92.89 12.26 70.3 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.972 -0.633 . . . . 0.0 112.816 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -107.3 14.22 26.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.293 0.568 . . . . 0.0 110.245 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.438 ' OH ' ' HB2' ' A' ' 13' ' ' TYR . 11.4 t80 -115.47 -3.42 12.39 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 122.001 0.905 . . . . 0.0 109.569 -175.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.584 HG23 ' HA ' ' A' ' 11' ' ' ALA . 11.3 p -119.75 158.63 21.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.694 -173.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.449 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 2.7 ptmm? -123.63 150.91 62.8 Favored Pre-proline 0 C--O 1.224 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 111.122 -177.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.81 146.18 79.64 Favored 'Trans proline' 0 N--CA 1.478 0.588 0 C-N-CA 123.939 3.093 . . . . 0.0 113.508 -177.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.544 HD23 ' HB2' ' A' ' 10' ' ' GLN . 74.6 mt -64.19 160.31 18.76 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.252 176.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.614 -0.708 . . . . 0.0 111.41 178.782 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.937 0.398 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' A' ' 4' ' ' GLN . 6.6 p -94.72 112.72 24.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.634 -176.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -66.1 -45.93 79.44 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.448 ' O ' ' HB ' ' A' ' 2' ' ' THR . 46.8 mt-30 -79.1 132.68 36.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.6 172.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -83.23 150.16 26.36 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.325 0.583 . . . . 0.0 110.589 -176.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.612 HD13 HG13 ' A' ' 33' ' ' VAL . 87.0 mt -107.25 -162.1 0.82 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.627 -175.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -139.97 168.94 18.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.446 ' HB2' HD11 ' A' ' 63' ' ' LEU . 3.4 m -123.1 143.36 50.03 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.733 177.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.585 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 8.7 m-85 -128.64 155.07 45.58 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -177.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.687 ' HB2' HD23 ' A' ' 63' ' ' LEU . 33.7 tt0 -111.26 130.22 55.73 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.62 ' HA ' HG23 ' A' ' 60' ' ' VAL . . . -79.74 140.33 36.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.482 0.658 . . . . 0.0 111.826 -171.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.676 HD21 ' HD3' ' A' ' 61' ' ' LYS . 13.7 mt -74.78 -32.58 62.07 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.118 -176.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -143.23 173.82 11.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.289 -176.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 m -82.81 148.01 28.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.082 0.468 . . . . 0.0 110.859 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.732 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 49.1 t80 -136.89 131.78 33.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.666 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.4 mm -104.55 132.6 20.78 Favored Pre-proline 0 C--N 1.312 -1.05 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.882 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.566 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 39.3 Cg_exo -56.86 132.9 54.51 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.59 2.194 . . . . 0.0 112.256 -177.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -89.52 -36.49 15.33 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -116.31 160.04 21.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.89 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.56 -14.6 61.67 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.368 -177.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.21 -12.73 54.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.176 0.512 . . . . 0.0 110.122 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 54' ' ' THR . 19.5 mt-10 -84.75 171.34 12.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.678 176.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.757 HD11 ' HB2' ' A' ' 46' ' ' SER . 17.4 tp -118.93 148.05 43.36 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.774 -174.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.566 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.6 tt0 -77.38 131.53 38.09 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.732 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.3 tm? -125.37 132.32 52.82 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.161 -172.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.702 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 7.1 tpt180 -111.53 158.85 18.7 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 26' ' ' ARG . 6.2 p-10 -58.31 131.22 50.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.363 0.601 . . . . 0.0 110.034 172.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.65 28.35 71.07 Favored Glycine 0 C--N 1.315 -0.605 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.881 -177.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.702 ' HB2' ' O ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER -91.66 157.51 16.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.585 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -107.17 147.16 12.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -176.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 9' ' ' TYR . 2.6 p -108.73 127.48 65.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.651 0.739 . . . . 0.0 111.365 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.739 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 17.5 t70 -117.52 109.34 16.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.347 -1.297 . . . . 0.0 108.241 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.925 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -85.07 121.61 37.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 122.047 0.927 . . . . 0.0 112.557 -172.412 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.551 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 76.1 mtm -84.55 -36.72 21.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.368 178.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 43' ' ' VAL . 10.4 tp10 -148.35 140.05 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.733 ' H ' ' HD2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -107.57 125.63 51.54 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.994 -173.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 41' ' ' TRP . 77.8 m -82.34 144.09 30.81 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 168.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -70.77 -8.39 51.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -141.22 70.15 1.34 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.102 0.477 . . . . 0.0 112.188 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.52 -56.22 0.49 Allowed Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.128 -1.034 . . . . 0.0 115.365 162.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.476 ' O ' ' HB2' ' A' ' 37' ' ' CYS . 47.9 m95 -88.17 135.77 33.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.903 0.382 . . . . 0.0 111.985 -169.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.498 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 8.3 m-85 -123.13 160.09 27.19 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 166.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.925 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.8 t -91.43 160.32 2.71 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.868 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 176.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.739 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -153.58 155.75 26.35 Favored Glycine 0 C--N 1.308 -1.015 0 C-N-CA 119.776 -1.202 . . . . 0.0 113.4 -172.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 m -109.94 135.77 50.28 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 172.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.757 ' HB2' HD11 ' A' ' 23' ' ' LEU . 23.7 t -78.2 126.72 31.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.443 0.64 . . . . 0.0 110.962 -175.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.572 HH21 ' CG ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -60.73 -32.35 71.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.83 -179.497 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 48' ' ' ARG . 48.2 mtm180 -93.61 -65.48 0.99 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.854 -172.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.2 t -88.29 0.63 55.93 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -171.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 57.2 33.32 23.14 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.174 0.511 . . . . 0.0 111.94 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -98.39 165.61 11.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.516 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.414 ' HB3' ' HE1' ' A' ' 34' ' ' MET . 46.1 m-85 -116.56 102.74 9.73 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.207 -175.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.599 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.58 152.26 20.88 Favored Glycine 0 C--O 1.222 -0.638 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.86 -175.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.585 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 14.7 t -101.65 147.56 26.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 117.059 0.43 . . . . 0.0 110.371 178.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.441 ' HE1' HD23 ' A' ' 23' ' ' LEU . 34.9 p90 -159.69 158.33 27.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.745 0.307 . . . . 0.0 110.506 177.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -61.99 133.84 46.52 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.9 2.4 . . . . 0.0 112.722 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.463 ' HA3' ' CE2' ' A' ' 42' ' ' PHE . . . -93.61 12.61 69.18 Favored Glycine 0 C--O 1.227 -0.291 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.358 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -105.3 14.4 28.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.374 0.607 . . . . 0.0 110.14 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -114.91 -4.36 12.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.194 0.997 . . . . 0.0 108.849 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.62 HG23 ' HA ' ' A' ' 11' ' ' ALA . 10.4 p -121.12 156.22 24.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.247 -171.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.676 ' HD3' HD21 ' A' ' 12' ' ' LEU . 25.4 mtpp -117.65 155.05 50.95 Favored Pre-proline 0 C--N 1.328 -0.361 0 C-N-CA 122.094 0.158 . . . . 0.0 110.853 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -51.78 144.25 35.5 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 123.47 2.78 . . . . 0.0 112.29 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.687 HD23 ' HB2' ' A' ' 10' ' ' GLN . 77.9 mt -50.48 126.85 16.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.489 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.865 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.54 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.355 0.122 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 p -90.38 37.22 0.9 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.135 0.493 . . . . 0.0 110.258 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t 64.72 -179.41 0.18 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.732 -176.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.92 66.43 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.78 -177.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.455 ' HB3' ' H ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER 44.87 -160.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.166 -1.379 . . . . 0.0 113.586 178.615 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.455 ' H ' ' HB3' ' A' ' 5' ' ' ASP . 45.6 mt -103.59 -151.6 0.44 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.033 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.423 ' H ' ' HB3' ' A' ' 6' ' ' LEU . 47.1 m-85 -102.82 162.29 13.05 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 176.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -123.21 144.66 49.23 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 174.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.62 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 32.2 m-85 -125.64 152.5 45.11 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -177.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.444 ' HB2' HD23 ' A' ' 63' ' ' LEU . 12.2 tt0 -109.37 131.13 55.35 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.626 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.9 135.35 36.41 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.283 0.563 . . . . 0.0 111.233 -174.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 61' ' ' LYS . 17.4 mt -66.04 -39.05 89.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.596 -1.184 . . . . 0.0 111.959 -173.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -149.88 170.22 19.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.525 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.542 ' HB3' ' H ' ' A' ' 27' ' ' ASP . 52.2 p -83.58 146.99 28.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.596 -176.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.643 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 63.3 t80 -137.29 141.52 41.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.071 -175.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 49.4 mm -108.87 127.67 26.9 Favored Pre-proline 0 C--N 1.319 -0.747 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.561 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 44.6 Cg_exo -54.6 133.31 56.2 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 123.309 2.673 . . . . 0.0 112.884 -176.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -98.84 -30.97 12.1 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 175.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.544 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 52.2 m-80 -115.17 155.97 26.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.154 173.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -71.04 -21.42 62.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.377 0.608 . . . . 0.0 110.499 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -71.57 -20.44 62.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.669 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.544 ' HG3' ' HB2' ' A' ' 19' ' ' ASN . 90.5 mt-10 -84.92 154.51 22.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.473 0.654 . . . . 0.0 111.141 -175.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.649 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 17.5 tp -94.34 144.56 25.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.256 -175.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.561 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 5.9 tt0 -77.39 116.74 18.23 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 173.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.643 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 0.9 OUTLIER -106.97 130.71 54.57 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.218 -170.199 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.52 ' HG2' ' CZ ' ' A' ' 48' ' ' ARG . 16.0 mmt180 -115.32 146.1 41.85 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 173.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.542 ' H ' ' HB3' ' A' ' 14' ' ' SER . 7.5 p-10 -56.02 126.28 25.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.473 0.654 . . . . 0.0 111.115 -176.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.434 ' HA2' ' HG2' ' A' ' 10' ' ' GLN . . . 85.91 29.12 26.91 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 114.976 -1.011 . . . . 0.0 113.111 -176.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.484 ' OD2' ' HD3' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -85.96 147.88 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.724 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.62 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.6 mp -104.35 137.07 34.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 p -109.72 136.56 45.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.741 0.782 . . . . 0.0 112.169 -173.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.689 ' HB3' HH12 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -125.45 119.13 27.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.246 -1.343 . . . . 0.0 108.051 174.077 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.93 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -79.86 121.95 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 122.15 0.976 . . . . 0.0 112.77 -173.158 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.665 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 21.3 mmt -83.44 -40.84 18.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 113.866 -1.515 . . . . 0.0 110.275 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 43' ' ' VAL . 30.6 tt0 -147.81 141.44 25.55 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 37.9 mtmt -100.66 127.28 47.12 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 -176.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.0 m -93.51 132.85 37.4 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 169.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.53 -17.67 55.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.897 -172.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.6 -22.5 60.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.06 7.68 9.21 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.31 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -101.76 139.32 37.57 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.459 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 5.4 m-85 -124.02 164.81 18.6 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.796 176.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.93 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.2 t -90.2 152.61 3.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 172.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.605 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -145.6 153.5 25.33 Favored Glycine 0 C--N 1.302 -1.343 0 C-N-CA 119.99 -1.1 . . . . 0.0 112.891 -171.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m -114.01 127.91 56.16 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.0 t -78.84 133.79 36.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.001 0.429 . . . . 0.0 111.029 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.689 HH12 ' HB3' ' A' ' 32' ' ' ASP . 4.5 mpt_? -67.45 -13.14 61.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.93 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.52 ' CZ ' ' HG2' ' A' ' 26' ' ' ARG . 13.3 mtp180 -84.53 -81.15 0.19 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.24 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 t -86.05 -0.94 56.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.648 -173.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt 60.43 29.11 18.75 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.555 178.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.415 ' HA ' ' OE1' ' A' ' 51' ' ' GLN . 13.2 mm-40 -90.54 162.49 15.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.411 178.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -115.95 107.84 15.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.846 -174.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.649 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.01 151.51 20.47 Favored Glycine 0 C--O 1.222 -0.647 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.994 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.0 t -101.42 144.39 30.28 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 117.337 0.569 . . . . 0.0 110.462 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.419 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 48.5 p90 -159.09 163.4 24.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.008 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 35.9 Cg_exo -56.09 134.26 63.05 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.561 2.174 . . . . 0.0 112.611 -178.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.91 -18.36 65.53 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.705 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -91.67 40.6 1.04 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.28 1.038 . . . . 0.0 108.607 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -136.15 -6.64 2.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.352 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.596 HG23 ' HA ' ' A' ' 11' ' ' ALA . 9.2 p -121.57 159.84 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.557 -173.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.466 ' HE3' ' HB2' ' A' ' 61' ' ' LYS . 11.1 ptmt -120.54 150.4 52.11 Favored Pre-proline 0 C--N 1.331 -0.231 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.949 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -60.82 146.89 96.77 Favored 'Trans proline' 0 N--CA 1.473 0.278 0 C-N-CA 123.579 2.853 . . . . 0.0 112.452 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 10' ' ' GLN . 81.1 mt -60.98 126.87 28.95 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.299 175.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 p90 . . . . . 0 C--O 1.247 0.968 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.144 -175.365 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 m -74.64 110.39 8.9 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 m 60.17 -141.16 0.59 Allowed 'General case' 0 C--O 1.236 0.377 0 O-C-N 123.497 0.498 . . . . 0.0 110.296 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.44 107.6 3.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.196 0.522 . . . . 0.0 110.425 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -112.2 10.08 20.14 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.811 1.291 . . . . 0.0 109.241 -176.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.846 HD11 ' HE2' ' A' ' 36' ' ' LYS . 11.3 mt -86.98 -170.8 3.22 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 113.355 -1.748 . . . . 0.0 111.063 -176.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -135.4 171.58 14.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.415 -178.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.421 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 4.1 m -95.87 140.65 30.34 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.045 177.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.607 ' HB3' HG22 ' A' ' 60' ' ' VAL . 25.3 m-85 -126.21 155.0 42.51 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.458 -175.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.686 ' HB2' HD23 ' A' ' 63' ' ' LEU . 32.9 tt0 -109.8 128.67 55.46 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.653 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -80.31 134.73 36.09 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.473 0.654 . . . . 0.0 111.302 -173.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.75 -41.55 99.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.468 -173.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -150.82 177.14 10.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.295 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 m -77.55 150.11 34.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.099 0.476 . . . . 0.0 111.885 -174.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.643 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 70.9 t80 -131.45 138.52 49.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.543 -177.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.446 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 49.8 mm -111.07 126.7 28.16 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.569 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 17.5 Cg_exo -63.48 131.85 33.39 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.546 2.164 . . . . 0.0 112.215 -177.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -84.54 -42.24 15.69 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 173.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -115.75 153.56 31.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.073 171.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.14 -3.35 22.77 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.401 ' O ' HG22 ' A' ' 54' ' ' THR . 15.8 m-20 -77.38 -24.7 50.53 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 170.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 54' ' ' THR . 50.7 mt-10 -84.07 157.04 21.9 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.662 177.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.606 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 17.0 tp -98.86 139.35 34.67 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.695 -171.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.569 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 4.6 tt0 -78.31 115.68 18.2 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 172.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.653 HD11 ' CB ' ' A' ' 11' ' ' ALA . 1.5 tm? -113.02 134.38 54.54 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.935 -168.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.536 ' N ' HD13 ' A' ' 25' ' ' LEU . 9.7 tpt180 -111.91 143.82 42.26 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 172.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -49.39 128.68 17.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.763 0.792 . . . . 0.0 111.616 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.45 25.3 59.22 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 114.641 -1.163 . . . . 0.0 113.392 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -78.78 149.24 32.68 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.138 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.575 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -104.63 132.01 52.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.1 p -109.52 131.64 59.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.765 0.793 . . . . 0.0 111.671 -175.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.501 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 34.7 t70 -115.85 112.28 21.7 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 113.905 -1.498 . . . . 0.0 107.877 173.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.86 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.59 125.16 36.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 122.016 0.912 . . . . 0.0 112.329 -171.386 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.458 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 94.5 mmm -88.28 -27.74 21.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.551 -177.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -160.86 147.27 15.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.056 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.846 ' HE2' HD11 ' A' ' 6' ' ' LEU . 86.9 mttt -97.3 118.21 33.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.047 178.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.4 m -91.08 129.2 37.11 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.41 -22.43 61.42 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.152 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -64.57 -21.36 66.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.251 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.15 4.72 15.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.046 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.452 ' CE3' ' HA ' ' A' ' 55' ' ' PHE . 12.3 m0 -105.36 155.01 19.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.423 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 14.3 m-85 -117.97 159.97 22.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 167.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.86 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 4.4 t -91.48 158.62 2.87 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 173.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.501 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -162.52 155.94 27.42 Favored Glycine 0 C--N 1.304 -1.246 0 C-N-CA 119.964 -1.112 . . . . 0.0 112.664 -171.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.7 m -109.91 132.46 54.13 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.37 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.564 ' OG ' ' HG2' ' A' ' 48' ' ' ARG . 46.0 t -78.04 140.62 39.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.062 -174.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.566 ' HD2' ' HB ' ' A' ' 30' ' ' ILE . 3.9 mmp_? -75.85 -33.51 60.03 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.676 0.751 . . . . 0.0 110.492 -177.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.564 ' HG2' ' OG ' ' A' ' 46' ' ' SER . 3.5 ptm180 -76.18 -46.73 27.11 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.486 -1.233 . . . . 0.0 112.582 -174.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.443 ' N ' ' HG3' ' A' ' 48' ' ' ARG . 10.4 t -121.19 4.56 10.33 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -170.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 50.83 30.16 4.92 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -82.95 160.59 22.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -115.83 101.3 8.68 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.606 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -134.24 149.73 19.85 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.846 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.695 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 5.3 t -101.09 143.33 31.33 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.849 0.357 . . . . 0.0 110.08 178.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.484 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 49.9 p90 -157.87 166.72 15.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.484 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 51.1 Cg_exo -54.29 132.54 51.21 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.289 1.993 . . . . 0.0 112.407 -178.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.7 -11.5 77.05 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.354 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.02 22.49 10.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.818 0.818 . . . . 0.0 109.68 177.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.421 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 3.0 t80 -113.29 -7.13 13.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.505 -1.225 . . . . 0.0 108.539 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.607 HG22 ' HB3' ' A' ' 9' ' ' TYR . 10.3 p -121.26 154.53 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.286 -175.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.449 ' HE3' ' HB2' ' A' ' 61' ' ' LYS . 11.7 ptmt -122.71 150.29 58.02 Favored Pre-proline 0 C--N 1.328 -0.346 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.415 -176.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.18 141.83 47.44 Favored 'Trans proline' 0 N--CA 1.477 0.506 0 C-N-CA 123.952 3.101 . . . . 0.0 113.781 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.686 HD23 ' HB2' ' A' ' 10' ' ' GLN . 58.3 mt -58.51 149.52 25.15 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.239 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 . . . . . 0 C--O 1.249 1.043 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.198 -176.632 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 75.4 p 50.45 -91.12 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.17 0.988 . . . . 0.0 112.712 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -82.39 -33.44 28.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.425 0.631 . . . . 0.0 110.288 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -88.97 122.53 32.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.725 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -128.67 152.53 48.28 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.121 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 37.8 mt -102.27 -172.39 2.13 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.857 -173.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.3 m-30 -102.14 156.01 17.83 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.787 ' HB2' HD11 ' A' ' 63' ' ' LEU . 5.5 m -122.45 146.69 47.14 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.781 -171.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.506 ' HB3' HG22 ' A' ' 60' ' ' VAL . 5.9 m-85 -122.05 151.84 40.43 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.54 ' HB2' HD23 ' A' ' 63' ' ' LEU . 25.9 tt0 -109.1 131.2 55.29 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.602 ' HA ' HG23 ' A' ' 60' ' ' VAL . . . -79.64 139.2 37.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.472 0.653 . . . . 0.0 111.37 -172.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -64.62 -40.2 95.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.168 -173.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CZ ' ' HE2' ' A' ' 59' ' ' TYR . 36.2 p90 -151.74 -179.91 7.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.311 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.9 p -83.76 143.21 30.14 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 123.384 0.427 . . . . 0.0 111.603 -175.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.732 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 74.3 t80 -129.25 142.32 50.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.638 -175.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 50.4 mm -110.55 129.02 24.4 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.299 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.516 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 32.4 Cg_exo -58.73 134.98 64.13 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.465 2.777 . . . . 0.0 113.205 -177.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -88.67 -37.17 15.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 172.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -120.07 167.36 12.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.621 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -79.9 -5.86 56.34 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.33 -33.75 71.86 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.374 169.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.515 ' HA ' ' O ' ' A' ' 54' ' ' THR . 87.8 mt-10 -84.88 162.32 19.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.133 -171.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.666 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 20.4 tp -103.54 145.09 30.53 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.494 -1.23 . . . . 0.0 110.099 -175.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.516 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 7.2 tt0 -81.21 115.29 20.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 172.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.732 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -113.19 135.15 54.13 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.12 -165.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.77 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 22.0 tpt180 -106.9 156.46 18.68 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -59.57 137.23 58.09 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.219 173.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.417 ' HA2' ' HG2' ' A' ' 10' ' ' GLN . . . 64.85 28.11 72.98 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.879 -178.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -95.94 149.16 21.87 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.626 ' CG2' ' HB3' ' A' ' 8' ' ' SER . 2.5 mp -100.31 133.03 44.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 120.935 0.397 . . . . 0.0 110.72 -173.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.803 HG23 ' HA3' ' A' ' 44' ' ' GLY . 3.7 p -111.63 132.84 59.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.537 0.684 . . . . 0.0 111.191 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.611 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 4.1 m-20 -121.59 117.11 25.93 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.402 -1.272 . . . . 0.0 108.392 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.876 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -75.92 119.92 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.857 0.836 . . . . 0.0 112.442 -170.292 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 24.2 mmt -91.27 -32.1 15.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.574 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.559 ' O ' HG23 ' A' ' 43' ' ' VAL . 28.7 tt0 -146.03 146.74 31.08 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 37.0 mtmt -114.15 132.65 56.0 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -173.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 62.6 m -77.16 134.87 38.55 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 161.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.46 -25.13 34.82 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.617 0.573 . . . . 0.0 111.959 -169.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -160.56 81.36 0.67 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.867 0.365 . . . . 0.0 110.43 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.95 -94.57 0.11 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.394 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.435 ' HE3' ' HA ' ' A' ' 56' ' ' PRO . 0.6 OUTLIER -106.84 162.03 14.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.937 0.399 . . . . 0.0 110.914 -171.296 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.56 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 9.4 m-85 -128.2 169.34 14.26 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 174.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.876 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 5.9 t -90.4 169.53 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 175.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.803 ' HA3' HG23 ' A' ' 31' ' ' VAL . . . -162.22 155.46 26.75 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 119.957 -1.116 . . . . 0.0 112.684 -176.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.4 m -110.85 127.1 55.29 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.513 ' HB2' HD21 ' A' ' 23' ' ' LEU . 44.4 t -78.87 133.51 36.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.938 0.399 . . . . 0.0 110.809 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.627 HH11 ' HG3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -77.14 4.51 10.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.678 177.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.77 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 65.8 mtp180 -85.35 -70.14 0.61 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.825 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -113.12 12.87 19.22 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.951 -174.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt 53.19 35.87 21.04 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.479 ' HA ' ' OE1' ' A' ' 51' ' ' GLN . 13.6 mm-40 -98.37 164.75 12.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.194 175.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -115.91 108.68 16.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.631 -172.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.666 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.56 154.57 21.8 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.787 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 9.4 t -101.94 151.42 22.13 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 117.063 0.432 . . . . 0.0 110.545 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.612 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 49.5 p90 -164.86 168.47 8.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 176.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.557 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 69.0 Cg_exo -50.96 134.07 41.65 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.531 2.154 . . . . 0.0 113.738 -175.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.76 -11.04 66.3 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.412 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -94.23 17.81 12.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.671 0.748 . . . . 0.0 109.231 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.546 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 7.6 t80 -120.34 -6.44 9.84 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.228 -173.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.602 HG23 ' HA ' ' A' ' 11' ' ' ALA . 9.1 p -123.8 154.04 30.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.746 -176.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.465 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 10.0 ptmm? -123.61 158.37 59.44 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 120.423 0.154 . . . . 0.0 110.639 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 11.4 Cg_endo -52.74 150.97 20.76 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.304 2.669 . . . . 0.0 112.314 177.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.787 HD11 ' HB2' ' A' ' 8' ' ' SER . 60.9 mt -61.62 161.78 9.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.441 0.638 . . . . 0.0 112.286 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.9 p90 . . . . . 0 C--O 1.248 1.0 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.425 -177.414 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.84 0.352 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -79.85 -54.42 5.84 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -80.46 164.64 22.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.033 172.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -92.18 79.9 5.08 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-O 121.77 0.795 . . . . 0.0 109.149 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -123.8 -151.84 0.49 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.968 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.581 HD21 ' HD3' ' A' ' 36' ' ' LYS . 36.6 mt -61.07 -179.41 0.14 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.829 0.823 . . . . 0.0 111.706 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -141.3 161.61 37.48 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.833 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.536 ' HB2' HD11 ' A' ' 63' ' ' LEU . 7.6 m -84.97 147.81 26.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.055 -176.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.544 ' HB3' HG22 ' A' ' 60' ' ' VAL . 20.3 m-85 -116.66 151.72 35.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.554 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.72 ' HB2' HD23 ' A' ' 63' ' ' LEU . 42.5 tt0 -110.07 128.99 55.75 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 174.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.675 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.62 139.85 37.31 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.449 0.642 . . . . 0.0 111.346 -173.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.564 HD21 ' HD3' ' A' ' 61' ' ' LYS . 13.1 mt -70.34 -37.32 74.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.946 -175.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.495 ' CZ ' ' HE2' ' A' ' 59' ' ' TYR . 46.2 p90 -151.93 -178.83 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.296 178.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.405 ' HB3' ' H ' ' A' ' 27' ' ' ASP . 59.3 p -86.72 140.34 29.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.023 0.44 . . . . 0.0 111.463 -176.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.719 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 60.4 t80 -125.23 139.99 53.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.08 -177.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.42 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 42.0 mm -110.36 129.87 23.48 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.07 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.57 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.4 Cg_exo -54.63 133.83 59.03 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.386 2.724 . . . . 0.0 113.23 -175.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -92.24 -34.28 14.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -114.9 160.88 19.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.466 173.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -75.62 -15.47 60.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.079 0.466 . . . . 0.0 110.755 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.86 -13.0 58.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.628 0.728 . . . . 0.0 109.561 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -84.61 172.03 11.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.08 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.646 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 21.6 tp -111.73 142.35 44.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.164 -172.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.57 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.9 tt0 -79.95 116.39 20.07 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 172.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.719 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.1 tm? -113.66 135.25 54.13 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.23 -168.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.662 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 21.1 tpt180 -106.15 155.6 19.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.8 0.333 . . . . 0.0 110.48 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.405 ' H ' ' HB3' ' A' ' 14' ' ' SER . 5.7 p-10 -63.47 134.01 54.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.071 0.462 . . . . 0.0 110.865 174.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.73 33.12 85.91 Favored Glycine 0 N--CA 1.453 -0.201 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.572 -176.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -97.98 141.93 30.33 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 177.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.814 ' HB ' ' HD3' ' A' ' 47' ' ' ARG . 2.6 mp -99.25 127.6 51.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.044 0.449 . . . . 0.0 110.229 -176.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.421 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 7.3 p -119.9 144.04 29.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.233 0.54 . . . . 0.0 111.851 -175.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.574 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 28.6 m-20 -114.14 126.91 55.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.15 173.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.89 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -77.06 123.86 34.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 121.717 0.77 . . . . 0.0 111.467 178.577 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.587 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 21.8 mmt -83.72 -36.95 23.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.355 -1.293 . . . . 0.0 110.404 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 43' ' ' VAL . 30.8 tt0 -148.96 141.21 24.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.607 176.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' HD21 ' A' ' 6' ' ' LEU . 43.1 mtmt -101.55 131.93 47.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.006 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.532 ' HB2' ' HD1' ' A' ' 41' ' ' TRP . 37.4 m -97.36 134.88 40.04 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 171.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -56.88 -31.31 64.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.84 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -56.65 -51.22 69.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.443 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.17 -8.59 0.32 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 119.683 -1.246 . . . . 0.0 114.18 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.712 ' HB3' ' HA ' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -106.38 149.33 27.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.188 0.994 . . . . 0.0 110.745 -179.534 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.498 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 10.6 m-85 -122.62 171.15 9.34 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -177.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.89 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 3.2 t -90.68 164.33 2.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 172.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.574 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -159.7 156.43 27.61 Favored Glycine 0 C--N 1.31 -0.864 0 C-N-CA 119.466 -1.35 . . . . 0.0 113.763 -171.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -120.95 127.63 51.99 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 173.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.44 ' N ' HD21 ' A' ' 23' ' ' LEU . 47.3 t -85.1 140.76 30.72 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 110.749 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.814 ' HD3' ' HB ' ' A' ' 30' ' ' ILE . 7.6 mtm180 -68.86 -17.2 63.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.394 -178.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.662 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 57.0 mtp180 -78.05 -83.62 0.08 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.009 -173.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.8 t -92.28 11.36 26.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.174 -171.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt 55.54 36.21 26.7 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.405 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -96.36 161.48 13.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -116.6 105.05 12.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.657 -177.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.646 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.18 154.72 21.73 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.398 -177.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.3 t -101.37 150.46 22.99 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 117.133 0.466 . . . . 0.0 110.249 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.513 ' HB2' ' HD2' ' A' ' 56' ' ' PRO . 52.3 p90 -165.48 166.29 10.47 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.712 ' HA ' ' HB3' ' A' ' 41' ' ' TRP . 52.9 Cg_exo -52.36 134.23 50.85 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.661 2.241 . . . . 0.0 113.085 -178.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.537 ' H ' ' HA ' ' A' ' 41' ' ' TRP . . . -94.3 -2.84 63.63 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.928 -179.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -101.1 23.98 10.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 122.423 1.106 . . . . 0.0 108.204 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.53 ' OH ' ' HB2' ' A' ' 15' ' ' TYR . 5.8 t80 -119.09 -16.69 9.11 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.148 -178.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.629 HG23 ' HA ' ' A' ' 11' ' ' ALA . 10.7 p -119.89 150.33 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.019 -177.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.564 ' HD3' HD21 ' A' ' 12' ' ' LEU . 41.4 mtpt -120.83 156.45 56.38 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -174.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 61' ' ' LYS . 16.1 Cg_endo -54.1 148.29 40.36 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 124.061 3.174 . . . . 0.0 112.855 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.72 HD23 ' HB2' ' A' ' 10' ' ' GLN . 79.6 mt -61.75 128.61 37.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.207 176.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 p90 . . . . . 0 N--CA 1.436 -1.14 0 CA-C-O 118.537 -0.744 . . . . 0.0 110.832 -179.284 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.5 m 72.49 -57.86 0.61 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.582 0.551 . . . . 0.0 109.673 -172.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m -94.24 141.3 28.71 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -60.58 118.5 6.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.369 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -77.25 151.39 35.14 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 172.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.0 mt -99.04 -176.06 3.21 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.772 -176.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -100.63 156.2 17.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.425 -170.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.423 ' HB2' HD11 ' A' ' 63' ' ' LEU . 6.2 m -93.54 145.79 24.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.441 -178.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.531 ' HB3' HG22 ' A' ' 60' ' ' VAL . 12.2 m-85 -129.32 154.91 46.41 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.596 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.642 ' HB2' HD23 ' A' ' 63' ' ' LEU . 43.8 tt0 -109.02 128.38 54.9 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.774 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -80.39 139.37 36.55 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.521 -172.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.607 HD21 ' HD3' ' A' ' 61' ' ' LYS . 14.2 mt -75.21 -31.84 61.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.69 -174.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -144.67 179.23 7.43 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.43 -175.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.1 m -91.0 136.19 33.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.85 0.357 . . . . 0.0 110.306 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.756 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 52.3 t80 -109.11 133.44 53.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.101 -177.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 45.7 mm -108.5 118.46 52.02 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 173.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 51.6 Cg_exo -54.95 132.93 55.14 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 123.42 2.747 . . . . 0.0 113.229 -175.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -76.98 -32.15 57.03 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 174.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -133.18 155.23 49.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.069 -1.423 . . . . 0.0 107.558 169.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -72.7 -8.49 55.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.668 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -62.32 -29.23 70.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.627 0.727 . . . . 0.0 109.076 169.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.529 ' HA ' ' O ' ' A' ' 54' ' ' THR . 22.8 mt-10 -83.54 158.29 22.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.375 177.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.789 HD11 ' HG3' ' A' ' 51' ' ' GLN . 16.7 tp -91.97 135.2 34.14 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.844 -173.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.493 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 6.4 tt0 -77.21 115.16 16.76 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 172.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.774 HD11 ' CB ' ' A' ' 11' ' ' ALA . 2.8 tm? -114.2 136.14 53.28 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.786 -166.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.411 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 9.5 tpt180 -104.87 151.57 23.68 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.731 0.301 . . . . 0.0 110.282 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -56.86 133.95 54.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.582 0.705 . . . . 0.0 111.464 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.31 27.45 72.45 Favored Glycine 0 C--N 1.32 -0.346 0 CA-C-N 115.034 -0.984 . . . . 0.0 113.006 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -89.91 142.65 27.5 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.636 ' HB ' ' HD3' ' A' ' 47' ' ' ARG . 3.0 mp -99.46 122.48 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.443 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 11.0 p -112.96 147.24 16.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.478 -174.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.483 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 17.4 m-20 -120.78 127.69 52.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.121 174.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.851 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.96 123.4 33.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 122.002 0.906 . . . . 0.0 112.315 -177.359 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.634 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 96.2 mmm -82.16 -36.41 27.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 113.848 -1.524 . . . . 0.0 110.429 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.519 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 8.1 tp10 -146.45 138.01 24.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.151 176.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.65 ' H ' ' HD2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -100.83 121.92 42.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.463 -177.162 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.9 m -104.09 133.46 49.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.875 0.369 . . . . 0.0 110.421 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.29 -10.57 43.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.571 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -76.96 -12.25 59.92 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.288 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.5 -2.12 23.49 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.286 -0.959 . . . . 0.0 113.493 174.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 3.6 p90 -121.44 154.3 36.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 117.681 0.741 . . . . 0.0 110.062 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.51 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 12.3 m-85 -123.52 164.33 19.19 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.851 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.7 t -90.49 155.93 3.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 171.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.483 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -152.63 153.9 25.17 Favored Glycine 0 C--N 1.302 -1.32 0 C-N-CA 119.557 -1.306 . . . . 0.0 113.069 -172.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 m -112.98 128.06 56.4 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.6 t -87.35 139.94 30.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.114 0.483 . . . . 0.0 110.507 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.636 ' HD3' ' HB ' ' A' ' 30' ' ' ILE . 46.2 mtm180 -73.75 -9.31 58.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.703 -176.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.411 ' HD2' ' HB2' ' A' ' 26' ' ' ARG . 72.5 mtp180 -66.34 -53.45 36.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.695 -172.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -138.64 19.93 2.7 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.483 0.658 . . . . 0.0 110.304 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 59.18 42.97 17.82 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.831 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.789 ' HG3' HD11 ' A' ' 23' ' ' LEU . 26.7 pt20 -96.43 156.17 16.45 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.496 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -117.22 113.01 21.6 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.072 0.463 . . . . 0.0 110.87 -171.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.609 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -135.41 150.24 20.2 Favored Glycine 0 C--O 1.221 -0.693 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.882 178.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.612 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.0 t -101.53 144.41 30.33 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 117.402 0.601 . . . . 0.0 110.422 178.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.443 ' CZ ' HG21 ' A' ' 31' ' ' VAL . 50.6 p90 -163.6 161.3 17.57 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 41' ' ' TRP . 43.6 Cg_exo -56.06 134.06 61.86 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 122.718 2.278 . . . . 0.0 112.485 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.32 -5.79 88.44 Favored Glycine 0 C--O 1.227 -0.315 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.139 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -92.21 25.72 2.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.344 0.592 . . . . 0.0 110.02 -178.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -125.86 -7.64 6.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.823 0.82 . . . . 0.0 109.336 -175.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.545 HG23 ' HA ' ' A' ' 11' ' ' ALA . 8.8 p -120.45 154.99 23.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.591 -175.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.607 ' HD3' HD21 ' A' ' 12' ' ' LEU . 40.1 mtpt -122.43 155.17 62.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -177.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -54.6 147.63 47.97 Favored 'Trans proline' 0 N--CA 1.473 0.304 0 C-N-CA 124.137 3.225 . . . . 0.0 113.565 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.642 HD23 ' HB2' ' A' ' 10' ' ' GLN . 52.2 mt -66.35 170.63 5.73 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.039 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.8 p90 . . . . . 0 C--O 1.244 0.791 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.011 174.868 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.9 p 39.17 48.17 1.5 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.913 0.885 . . . . 0.0 112.784 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 m -112.29 175.64 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.566 178.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -70.43 118.75 13.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.979 0.419 . . . . 0.0 110.134 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.21 149.67 49.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.457 -0.792 . . . . 0.0 108.963 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 6' ' ' LEU . 35.5 mt -85.74 -154.15 0.2 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.092 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.424 ' H ' ' HB3' ' A' ' 6' ' ' LEU . 2.3 m-85 -98.23 142.77 29.48 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.2 m -121.8 145.47 48.03 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 121.396 0.617 . . . . 0.0 110.657 -173.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.588 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 23.8 m-85 -133.49 155.3 49.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.543 -176.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -109.21 130.11 55.49 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.645 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.46 138.97 37.77 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.533 0.682 . . . . 0.0 111.64 -171.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.473 HD21 ' HB3' ' A' ' 61' ' ' LYS . 14.5 mt -73.88 -33.8 64.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.299 -175.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -144.23 158.16 43.88 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.508 -174.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 m -73.61 135.37 43.83 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.531 174.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.733 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 50.5 t80 -121.72 133.27 54.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.964 -177.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.6 mm -103.23 127.54 29.51 Favored Pre-proline 0 C--N 1.313 -0.996 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.407 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.548 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 32.2 Cg_exo -54.91 132.91 54.91 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.965 2.443 . . . . 0.0 112.917 -175.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -93.11 -35.31 13.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 173.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.583 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 5.4 m-20 -116.88 152.22 34.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.559 -1.201 . . . . 0.0 108.583 176.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.88 1.81 25.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.012 0.435 . . . . 0.0 111.209 -178.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -88.49 -14.17 38.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.757 0.789 . . . . 0.0 108.934 170.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.583 ' HG3' ' HB2' ' A' ' 19' ' ' ASN . 84.1 mt-10 -88.05 171.87 9.96 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.357 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.678 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 16.7 tp -109.35 143.32 39.05 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.52 -172.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.548 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.1 tt0 -78.18 115.04 17.62 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 168.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.733 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -115.73 136.0 53.49 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.22 -167.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' A' ' 26' ' ' ARG . 17.3 mmt180 -116.07 152.26 33.94 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.281 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -58.11 134.45 56.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.428 0.632 . . . . 0.0 110.569 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.26 35.62 60.28 Favored Glycine 0 C--N 1.317 -0.504 0 CA-C-N 115.081 -0.963 . . . . 0.0 112.668 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -108.41 148.7 29.77 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 175.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.588 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.5 mp -99.82 134.73 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.862 0.363 . . . . 0.0 110.389 -174.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.477 HG23 ' HA3' ' A' ' 44' ' ' GLY . 7.1 p -110.16 141.65 24.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-O 121.241 0.543 . . . . 0.0 111.287 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.641 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 32.7 t70 -133.09 119.2 19.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.285 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.887 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -75.97 124.12 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 122.054 0.93 . . . . 0.0 113.109 -168.035 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.465 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 12.8 mmt -91.27 -32.5 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 113.98 -1.463 . . . . 0.0 110.065 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -155.04 142.27 19.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.231 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.78 127.61 55.85 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.26 0.552 . . . . 0.0 112.276 -175.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.2 m -90.18 145.39 25.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -60.63 -24.58 65.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.732 -168.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.74 -23.26 53.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.397 . . . . 0.0 111.165 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.13 14.1 5.65 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.362 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -95.66 121.46 37.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.404 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 6.0 m-85 -114.65 159.95 19.9 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.2 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.887 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 11.3 t -91.1 155.89 3.04 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.864 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 173.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.641 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -155.93 154.87 25.86 Favored Glycine 0 C--N 1.298 -1.538 0 C-N-CA 120.007 -1.092 . . . . 0.0 112.322 -171.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 7.4 m -108.1 127.26 53.64 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.618 ' HB2' HD21 ' A' ' 23' ' ' LEU . 45.1 t -79.01 134.58 36.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.11 0.481 . . . . 0.0 110.786 -177.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.464 HH22 ' HB2' ' A' ' 32' ' ' ASP . 2.5 mpt_? -67.16 -9.45 40.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.671 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -77.89 -81.98 0.09 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.484 -177.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.6 t -95.63 8.81 42.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.498 -173.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.3 mptt 57.72 29.86 18.0 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 178.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -99.14 161.33 13.68 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.158 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.503 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 13.8 p90 -117.57 122.05 42.61 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.805 0.812 . . . . 0.0 110.346 -175.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.678 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -137.69 156.51 23.69 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.411 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.765 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 10.9 t -101.31 144.17 30.48 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 117.646 0.723 . . . . 0.0 111.08 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.473 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 50.2 p90 -160.05 165.2 18.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.872 177.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.455 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 32.5 Cg_exo -56.67 133.67 59.5 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.531 2.154 . . . . 0.0 113.236 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.87 -6.63 85.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.507 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -92.43 11.09 27.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.372 0.606 . . . . 0.0 110.122 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -117.92 0.12 11.83 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 122.519 1.152 . . . . 0.0 108.846 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.602 HG23 ' HA ' ' A' ' 11' ' ' ALA . 9.7 p -123.82 155.91 30.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.715 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' HB3' HD21 ' A' ' 12' ' ' LEU . 8.0 ptmm? -119.87 154.02 55.07 Favored Pre-proline 0 C--O 1.222 -0.365 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.931 -178.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -55.65 146.62 64.15 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.571 2.847 . . . . 0.0 112.974 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.556 HD21 HG13 ' A' ' 30' ' ' ILE . 69.4 mt -64.75 150.19 47.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.278 175.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.6 p90 . . . . . 0 N--CA 1.44 -0.973 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.385 -178.802 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.555 0.217 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.4 m -69.32 105.36 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 174.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -122.67 166.92 14.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.21 -173.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 72.48 130.89 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 124.029 0.831 . . . . 0.0 112.275 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -98.31 -174.4 2.83 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.127 174.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.8 mt -80.05 -173.74 4.1 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.182 0.515 . . . . 0.0 110.166 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -127.47 159.71 33.7 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.87 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m -122.77 144.19 49.34 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.237 177.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.605 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 9.8 m-85 -126.63 155.05 43.15 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.699 -176.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.519 ' HB2' HD23 ' A' ' 63' ' ' LEU . 34.6 tt0 -109.72 129.43 55.61 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.745 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.97 138.97 37.19 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.503 0.668 . . . . 0.0 111.535 -171.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.06 -36.67 72.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.554 -176.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.478 ' HA ' ' OD2' ' A' ' 27' ' ' ASP . 89.3 m-85 -147.05 179.96 7.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.077 -176.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.514 ' HB3' ' H ' ' A' ' 27' ' ' ASP . 19.8 p -95.88 135.33 37.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.334 0.588 . . . . 0.0 111.753 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.753 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 65.4 t80 -110.78 137.25 48.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.172 -177.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 50.5 mm -105.62 125.09 34.22 Favored Pre-proline 0 C--N 1.318 -0.803 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 175.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 33.1 Cg_exo -58.61 133.44 54.33 Favored 'Trans proline' 0 N--CA 1.472 0.211 0 C-N-CA 123.078 2.519 . . . . 0.0 113.128 -176.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -81.56 -45.85 15.29 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 172.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -113.94 166.9 11.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.129 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.81 -15.04 61.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.003 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.465 ' O ' HG22 ' A' ' 54' ' ' THR . 28.8 m-20 -73.68 -23.72 59.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.729 176.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 54' ' ' THR . 17.9 mt-10 -82.94 163.1 21.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.266 -177.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.646 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 20.4 tp -105.33 143.46 33.47 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.238 -176.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.9 tt0 -77.21 115.13 16.73 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 172.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.753 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 1.7 tm? -108.67 136.63 47.94 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -170.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.456 ' HA ' ' CB ' ' A' ' 14' ' ' SER . 28.0 mmt180 -117.8 153.86 32.74 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 120.514 -0.475 . . . . 0.0 110.889 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.514 ' H ' ' HB3' ' A' ' 14' ' ' SER . 4.2 m-20 -53.25 131.94 38.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.369 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.61 38.04 95.74 Favored Glycine 0 CA--C 1.518 0.249 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.91 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.438 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 40.6 t0 -101.69 148.49 25.2 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 175.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.605 ' HA ' ' O ' ' A' ' 9' ' ' TYR . 2.8 mp -99.48 133.8 41.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.952 0.406 . . . . 0.0 110.042 -175.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.482 ' HB ' ' HZ ' ' A' ' 55' ' ' PHE . 5.1 p -110.5 137.35 43.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.527 0.679 . . . . 0.0 111.05 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.614 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 18.3 t70 -124.8 116.33 22.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.128 175.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.89 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -75.96 123.26 31.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.896 0.855 . . . . 0.0 112.703 -169.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.8 mmm -87.52 -32.67 19.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.502 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.456 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 32.1 tt0 -151.92 142.51 22.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.858 -176.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -108.54 132.18 54.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.928 0.394 . . . . 0.0 111.912 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.9 m -98.93 125.59 44.4 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 165.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.72 -17.14 60.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.028 0.442 . . . . 0.0 111.579 -172.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.83 -13.89 58.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.908 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.21 -20.82 3.53 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 119.818 -1.182 . . . . 0.0 114.336 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -80.41 136.75 36.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.309 0.554 . . . . 0.0 110.64 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.445 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 8.9 m-85 -123.25 159.61 28.37 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 169.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.89 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 12.1 t -91.56 164.55 2.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 173.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.614 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -162.73 155.24 26.49 Favored Glycine 0 C--N 1.304 -1.208 0 C-N-CA 119.838 -1.173 . . . . 0.0 112.755 -173.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -110.2 127.05 54.74 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 175.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.517 ' HB3' HG22 ' A' ' 49' ' ' THR . 31.0 t -79.64 139.53 37.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 111.497 -177.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.465 ' HD3' ' O ' ' A' ' 30' ' ' ILE . 7.7 mpt_? -73.16 -11.84 60.67 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.709 177.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.429 ' HE ' ' HB3' ' A' ' 48' ' ' ARG . 23.2 mtp180 -100.7 -67.8 0.84 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.906 0.384 . . . . 0.0 111.907 -178.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.517 HG22 ' HB3' ' A' ' 46' ' ' SER . 13.4 t -76.85 -7.94 56.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.833 -172.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt 56.54 29.01 14.74 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.98 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -113.32 167.26 10.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.645 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -114.95 102.55 10.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.569 -172.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.646 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -133.45 153.33 20.76 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.584 -175.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.771 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 7.0 t -101.99 145.45 29.27 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.482 ' HZ ' ' HB ' ' A' ' 31' ' ' VAL . 50.6 p90 -159.83 164.87 19.1 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.693 176.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 51.5 Cg_exo -54.41 132.79 52.87 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.229 1.953 . . . . 0.0 112.529 -178.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.8 22.7 34.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.696 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -127.39 21.93 6.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.895 0.855 . . . . 0.0 109.15 176.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -115.73 -4.22 12.18 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.698 HG23 ' HA ' ' A' ' 11' ' ' ALA . 12.4 p -121.28 155.17 25.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.269 -176.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.444 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 8.8 ptmm? -119.14 153.6 53.18 Favored Pre-proline 0 C--O 1.223 -0.341 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.221 -176.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.05 148.7 57.04 Favored 'Trans proline' 0 N--CA 1.474 0.377 0 C-N-CA 123.686 2.924 . . . . 0.0 113.114 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.519 HD23 ' HB2' ' A' ' 10' ' ' GLN . 69.0 mt -67.69 151.38 47.35 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.477 177.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--O 1.251 1.17 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.86 177.771 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 120.945 0.403 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -102.13 -6.96 22.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.297 0.57 . . . . 0.0 110.252 175.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 p -90.59 162.92 14.77 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.287 177.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.5 pm0 -132.1 153.58 50.33 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -84.3 -162.51 0.67 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 mt -70.52 175.21 4.98 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 121.593 0.711 . . . . 0.0 111.129 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.414 ' HD1' ' HE1' ' A' ' 9' ' ' TYR . 1.5 p90 -110.71 138.96 46.45 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.589 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.549 ' HB3' ' CG2' ' A' ' 30' ' ' ILE . 14.6 m -115.34 147.88 39.95 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.854 -173.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.522 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 9.4 m-85 -124.05 154.04 40.48 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.642 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.472 ' HB2' HD23 ' A' ' 63' ' ' LEU . 29.3 tt0 -109.47 129.11 55.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.638 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -79.74 137.64 37.07 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.546 0.689 . . . . 0.0 111.102 -175.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.29 -40.51 97.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.356 -1.293 . . . . 0.0 111.659 -173.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.414 ' CZ ' ' HE1' ' A' ' 59' ' ' TYR . 42.0 p90 -151.32 -179.94 7.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.423 -177.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.6 p -83.45 137.82 33.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.025 0.44 . . . . 0.0 110.583 -178.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.719 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 53.8 t80 -125.68 137.28 53.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.202 -176.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 49.2 mm -108.43 129.58 23.84 Favored Pre-proline 0 C--N 1.315 -0.901 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.559 -179.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.57 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 31.5 Cg_exo -55.67 132.59 53.02 Favored 'Trans proline' 0 CA--C 1.52 -0.221 0 C-N-CA 122.962 2.442 . . . . 0.0 112.719 -175.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.483 ' C ' HD22 ' A' ' 19' ' ' ASN . 11.3 mt-30 -87.88 -36.6 17.09 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 175.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.483 HD22 ' C ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER -118.42 160.56 21.48 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.885 176.09 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -73.81 -13.69 60.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.88 0.372 . . . . 0.0 111.472 -175.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.37 -13.57 49.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.048 0.451 . . . . 0.0 110.593 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -83.98 166.84 17.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.561 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.67 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . 17.4 tp -99.14 136.5 39.01 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.801 -173.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.57 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 8.1 tt0 -78.09 114.51 17.04 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 170.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.719 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 3.2 tm? -114.89 135.55 54.07 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.117 -164.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 28.6 mmt180 -110.14 152.54 25.91 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.437 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -60.15 131.56 51.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.211 0.529 . . . . 0.0 111.294 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.24 30.65 71.62 Favored Glycine 0 C--N 1.323 -0.189 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.577 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -91.76 145.33 24.66 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 175.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.549 ' CG2' ' HB3' ' A' ' 8' ' ' SER . 2.3 mp -99.43 129.95 49.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -178.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.479 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 7.3 p -119.5 144.17 28.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.174 0.511 . . . . 0.0 111.685 -176.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.533 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 29.4 m-20 -124.1 132.71 53.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.509 174.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.88 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -76.68 120.15 26.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 122.184 0.993 . . . . 0.0 111.491 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.77 ' HB2' ' HB ' ' A' ' 43' ' ' VAL . 85.3 mtp -83.03 -43.87 15.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 113.576 -1.647 . . . . 0.0 109.663 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.529 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 7.8 tp10 -141.34 147.34 37.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.079 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -107.79 128.69 54.82 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.871 -175.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.2 m -80.24 145.45 32.2 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 165.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -60.03 -19.55 53.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.283 -170.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -163.09 79.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.16 -86.14 0.15 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 119.674 -1.25 . . . . 0.0 114.23 170.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.443 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 11.2 m0 -84.53 146.85 27.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.323 0.583 . . . . 0.0 111.85 -170.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.512 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 13.9 m-85 -123.52 162.47 22.86 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 168.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.88 ' O ' ' HA ' ' A' ' 33' ' ' VAL . 2.7 t -91.07 153.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 175.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' A' ' 32' ' ' ASP . . . -144.63 155.33 26.33 Favored Glycine 0 C--N 1.304 -1.206 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.756 -169.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.0 m -124.61 126.65 46.11 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.642 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.472 ' HB3' ' HG2' ' A' ' 48' ' ' ARG . 31.5 m -83.81 139.91 32.38 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -62.57 -18.27 61.77 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 114.935 -1.03 . . . . 0.0 113.558 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.784 ' HG3' HG22 ' A' ' 49' ' ' THR . 16.7 ptm180 -61.3 -48.9 79.25 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -174.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.784 HG22 ' HG3' ' A' ' 48' ' ' ARG . 13.3 t -152.33 20.34 0.65 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.847 0.356 . . . . 0.0 111.378 -173.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm 55.72 35.0 24.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.416 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.604 ' HG3' HD11 ' A' ' 23' ' ' LEU . 13.6 pt20 -81.86 152.91 26.65 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 174.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.654 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 14.3 p90 -120.56 119.22 32.3 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-O 121.933 0.873 . . . . 0.0 110.75 -170.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.67 ' HA3' ' HB2' ' A' ' 23' ' ' LEU . . . -136.71 150.65 20.62 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.782 177.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 6.3 t -102.02 143.96 31.22 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 117.379 0.59 . . . . 0.0 110.685 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.479 ' CZ ' HG21 ' A' ' 31' ' ' VAL . 52.2 p90 -164.16 164.88 13.86 Favored Pre-proline 0 CA--C 1.531 0.225 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.937 177.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 55' ' ' PHE . 36.1 Cg_exo -57.78 134.11 60.62 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.47 2.114 . . . . 0.0 112.722 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.96 -2.66 89.52 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.132 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -92.94 15.79 14.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.287 0.565 . . . . 0.0 109.75 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.414 ' HE1' ' CZ ' ' A' ' 13' ' ' TYR . 2.9 t80 -114.79 -13.33 12.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.985 -174.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.611 HG23 ' HA ' ' A' ' 11' ' ' ALA . 12.6 p -119.12 153.01 21.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.347 -173.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.483 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 8.6 ptmm? -117.75 156.66 49.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.236 -174.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 61' ' ' LYS . 14.3 Cg_endo -54.66 148.71 43.45 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 123.525 2.817 . . . . 0.0 112.703 177.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 8' ' ' SER . 67.9 mt -62.19 140.58 58.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.302 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--O 1.248 0.997 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.858 178.206 . . . . . . . . 0 0 . 1 stop_ save_