data_5u5s_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 5u5s _Structure_validation_residue.Date_analyzed 2017-03-17 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 full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.599 -0.6 . . . . 0.0 111.599 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -84.91 87.83 7.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.881 0.341 . . . . 0.0 110.48 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 72.9 mt 65.76 106.73 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.566 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 m -64.57 166.95 7.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.01 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -53.49 -45.55 69.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.312 . . . . 0.0 111.658 -173.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -60.67 -40.54 92.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.521 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.6 mt -74.91 -31.62 61.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.4 -176.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -66.28 -38.29 87.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.873 0.368 . . . . 0.0 110.056 176.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.43 ' O ' HG13 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -65.96 -32.43 73.92 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.579 ' SG ' ' HA ' ' A' ' 68' ' ' ALA . 79.0 m -63.19 -43.6 97.73 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.337 176.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -56.87 -39.28 74.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.438 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.64 -42.52 47.01 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.846 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 9' ' ' HIS . 83.3 mt -64.44 -49.12 82.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.387 . . . . 0.0 110.527 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.549 HD11 ' HG3' ' A' ' 57' ' ' LYS . 1.2 tt -57.03 -43.16 81.64 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.496 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -58.09 -37.47 74.56 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' CD ' ' HE2' ' A' ' 22' ' ' HIS . 2.4 tt0 -69.18 -49.67 54.53 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.128 -177.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.5 mt -60.47 -22.91 64.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.096 0.474 . . . . 0.0 110.039 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 18' ' ' LEU . 80.5 mt -90.68 -15.43 30.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.014 178.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -68.88 146.29 52.95 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.96 0.41 . . . . 0.0 110.588 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 47.2 tptt -56.56 -19.43 15.75 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.384 -177.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -53.49 -39.42 64.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.473 173.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.447 ' HE2' ' CD ' ' A' ' 16' ' ' GLU . 97.9 m-70 -107.45 -14.85 14.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.729 -176.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' A' ' 20' ' ' LYS . . . -47.37 -35.03 7.66 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -175.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.93 -22.53 26.61 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.003 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -141.76 18.01 2.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.998 0.428 . . . . 0.0 110.686 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.496 ' CB ' HD13 ' A' ' 99' ' ' LEU . . . -115.87 -14.19 11.32 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.259 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.602 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 69.5 p-90 -56.36 -34.17 23.75 Favored Pre-proline 0 CA--C 1.548 0.9 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -176.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -54.22 -22.15 25.05 Favored 'Trans proline' 0 C--N 1.372 1.769 0 C-N-CA 121.782 1.654 . . . . 0.0 113.015 176.568 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.496 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 2.2 m-85 -111.59 -8.42 14.23 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -172.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -55.4 -54.91 37.77 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.204 -0.198 . . . . 0.0 110.635 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -133.58 159.43 72.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.176 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.503 ' HD3' ' OD2' ' A' ' 52' ' ' ASP . 19.5 Cg_endo -58.71 144.37 98.0 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.542 2.162 . . . . 0.0 111.312 178.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.587 HG12 ' NZ ' ' B' ' 287' ' ' ALY . 1.0 OUTLIER -63.61 149.48 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.542 -175.641 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -86.16 66.47 9.58 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.67 -44.94 66.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.124 -0.944 . . . . 0.0 113.065 -167.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 m -60.3 -44.92 94.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.763 0.316 . . . . 0.0 110.695 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.33 -29.82 64.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.955 0.407 . . . . 0.0 110.706 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.467 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 34.8 mt -75.9 -7.24 54.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.2 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.17 4.16 84.28 Favored Glycine 0 C--N 1.33 0.24 0 N-CA-C 111.576 -0.61 . . . . 0.0 111.576 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.515 HD12 ' HCA' ' B' ' 287' ' ' ALY . 8.6 mt -93.25 71.87 4.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.96 -174.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -79.41 7.67 7.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.93 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -117.98 23.11 11.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.204 0.526 . . . . 0.0 110.493 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.407 ' CE1' HG23 ' A' ' 33' ' ' VAL . 69.0 t80 -74.86 -38.48 61.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.568 -174.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -77.26 -13.36 59.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.857 0.36 . . . . 0.0 111.14 -176.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.33 -45.9 18.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.627 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.45 ' N ' HD12 ' A' ' 46' ' ' ILE . 1.9 mp -77.69 -44.32 29.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.995 -178.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.499 HD13 ' HB2' ' A' ' 85' ' ' TYR . 17.2 mm -86.89 107.39 16.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.769 0.319 . . . . 0.0 111.031 -177.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -90.53 -25.02 20.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.393 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -123.45 72.5 49.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.836 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.71 100.07 0.48 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.121 1.881 . . . . 0.0 111.436 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.546 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 31.6 tpp -129.97 146.28 51.66 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.462 -178.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.503 ' OD2' ' HD3' ' A' ' 32' ' ' PRO . 5.0 p-10 -138.63 165.2 27.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.363 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.512 ' HG ' ' HE2' ' A' ' 78' ' ' MET . 45.1 mt -63.57 -33.54 75.82 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.434 ' HB2' ' OD1' ' A' ' 52' ' ' ASP . 66.9 m -64.9 -40.39 95.01 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.211 -0.196 . . . . 0.0 110.921 178.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.546 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 18.7 m -74.04 -34.22 64.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.865 -0.152 . . . . 0.0 111.016 177.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.457 HG21 ' O ' ' A' ' 52' ' ' ASP . 84.4 t -59.68 -45.62 94.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.515 0.674 . . . . 0.0 109.381 174.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.549 ' HG3' HD11 ' A' ' 14' ' ' LEU . 19.2 tttt -67.85 -41.93 82.15 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.186 177.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -52.3 -54.63 28.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.86 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.406 ' HB3' ' HE2' ' A' ' 65' ' ' TYR . 42.6 mtpt -63.0 -39.24 94.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.624 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 13.4 ttm -60.97 -40.66 94.23 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 54.7 mt-10 -64.47 -32.25 73.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.114 0.483 . . . . 0.0 110.637 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.411 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -81.45 -1.83 47.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.438 0.637 . . . . 0.0 109.599 176.241 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 58.74 33.3 22.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.483 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.91 -14.71 60.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.947 177.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.508 ' CE1' ' HA ' ' A' ' 71' ' ' PHE . 1.8 m-30 -84.27 139.66 32.19 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 176.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -98.78 -31.61 11.79 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.819 0.343 . . . . 0.0 110.424 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -147.43 172.79 13.38 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 121.1 0.476 . . . . 0.0 111.055 -176.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.579 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . . . -73.81 -16.15 61.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.702 -177.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -72.05 -38.64 69.45 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -65.63 -35.55 81.13 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.243 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.661 ' O ' HG11 ' A' ' 75' ' ' VAL . 8.6 t80 -63.73 -53.75 46.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.514 173.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.531 ' O ' ' HG2' ' A' ' 76' ' ' ARG . . . -53.37 -41.02 65.45 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 123.705 0.628 . . . . 0.0 110.294 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.84 -48.75 78.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.416 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.98 -43.4 65.18 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -176.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.661 HG11 ' O ' ' A' ' 71' ' ' PHE . 2.4 p -67.51 -40.98 85.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.906 -178.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 2.3 ptp180 -70.9 -28.65 64.68 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.164 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -32.67 74.24 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.98 0.419 . . . . 0.0 110.081 175.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.619 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 12.5 tmm? -63.72 -51.88 63.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.351 175.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -60.93 -34.13 74.23 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 110.687 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.5 m -65.7 -45.24 83.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.695 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.619 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 12.3 p30 -66.43 -29.47 69.62 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.395 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.455 ' SG ' HH33 ' B' ' 287' ' ' ALY . 60.7 m -60.16 -44.74 94.77 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.865 175.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -71.41 -24.14 62.0 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.487 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -64.54 -46.22 83.79 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.488 0.661 . . . . 0.0 110.273 176.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.499 ' HB2' HD13 ' A' ' 47' ' ' ILE . 59.8 t80 -80.45 -60.62 2.25 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.802 -171.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -85.8 128.28 59.13 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.8 -170.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -65.58 157.85 56.23 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.424 2.083 . . . . 0.0 110.953 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.12 -19.96 13.1 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 124.221 3.281 . . . . 0.0 113.854 -173.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -101.12 68.43 1.24 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.3 0.571 . . . . 0.0 109.686 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.505 ' O ' HG21 ' A' ' 93' ' ' VAL . 4.0 t-80 -154.78 156.78 36.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.378 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.47 ' HB3' ' HE2' ' A' ' 95' ' ' MET . 1.2 m-20 -61.74 -43.0 99.7 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -22.14 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -170.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.543 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 19.7 m -82.4 -36.41 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.351 -0.539 . . . . 0.0 110.095 177.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.32 -39.55 81.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.398 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.47 ' HE2' ' HB3' ' A' ' 91' ' ' ASP . 57.2 mtm -68.06 -36.67 80.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.159 175.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.94 -41.38 91.37 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.695 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 77.2 mtp180 -61.46 -45.48 94.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.751 0.31 . . . . 0.0 111.225 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -67.96 -50.58 54.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.758 -177.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.496 HD13 ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -60.61 -28.43 68.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.787 175.057 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -67.42 -35.19 78.76 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -61.89 -55.07 33.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.47 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.495 HG12 ' H ' ' A' ' 103' ' ' PHE . 1.9 p -57.74 -54.01 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.263 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.495 ' H ' HG12 ' A' ' 102' ' ' VAL . 4.5 t80 -56.83 -36.61 70.17 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.684 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.3 -47.44 82.26 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 120.853 0.358 . . . . 0.0 110.086 -177.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.473 ' O ' ' HE3' ' A' ' 109' ' ' LYS . 87.8 m-85 -75.95 -23.2 55.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.403 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 37.2 mmt180 -66.15 -47.03 75.4 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 174.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -71.35 -30.15 65.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.199 177.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.85 -33.4 74.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.161 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.473 ' HE3' ' O ' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -80.58 -26.94 37.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.983 0.42 . . . . 0.0 109.972 177.203 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.508 ' HE1' ' CB ' ' A' ' 68' ' ' ALA . 2.0 tmt? -64.64 120.11 63.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.353 176.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -84.93 145.82 10.12 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.217 1.944 . . . . 0.0 111.84 176.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.583 -0.722 . . . . 0.0 109.811 -177.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -54.64 -43.31 72.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.474 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 57.2 tp -164.96 -74.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.657 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 84.4 mt 56.79 -101.45 0.13 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.225 -173.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 52.3 mtp85 -139.49 139.5 36.98 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 27.5 pt -102.1 137.67 29.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.903 0.383 . . . . 0.0 110.344 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 287' ' ' ALY . . . . . 0.587 ' NZ ' HG12 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -80.22 62.15 4.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.525 0.679 . . . . 0.0 110.688 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -109.88 26.04 11.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.069 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 6.5 mp -75.72 104.66 6.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.624 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 58.43 79.8 0.2 Allowed 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.773 0.671 . . . . 0.0 110.409 -175.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.767 -0.635 . . . . 0.0 110.578 -179.626 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 111.818 -0.513 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 55.06 50.25 15.77 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 122.598 0.359 . . . . 0.0 111.303 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.4 mt 67.33 113.33 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.739 0.65 . . . . 0.0 111.523 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.5 t -71.95 171.57 11.55 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 173.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -53.83 -46.6 71.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 111.121 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.518 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 14.6 mp0 -56.06 -46.45 78.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.494 177.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.55 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 93.3 mt -76.54 -25.97 54.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.978 0.418 . . . . 0.0 111.488 -176.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -71.01 -37.65 72.63 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 173.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.42 ' O ' HG13 ' A' ' 13' ' ' ILE . 1.5 t60 -69.76 -35.06 74.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.995 178.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.572 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 13.9 p -69.56 -29.42 66.98 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.948 0.404 . . . . 0.0 110.099 177.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -66.46 -40.69 89.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.487 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.14 -39.28 53.51 Favored Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.437 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.524 HG12 ' HB3' ' A' ' 106' ' ' ARG . 87.1 mt -62.13 -49.91 82.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.727 0.298 . . . . 0.0 110.592 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.539 HD11 ' HG3' ' A' ' 57' ' ' LYS . 1.3 tt -55.96 -45.92 78.75 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.349 177.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -54.21 -37.32 64.42 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.481 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.657 ' OE1' ' HD3' ' A' ' 106' ' ' ARG . 30.6 tt0 -74.9 -41.47 59.67 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.737 -174.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.61 -22.49 66.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 18' ' ' LEU . 83.0 mt -91.56 -15.98 27.85 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.879 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.3 m -70.78 146.94 49.45 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.208 0.528 . . . . 0.0 110.772 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 31.1 mmtp -59.63 -14.79 15.1 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.535 -173.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -58.91 -38.35 78.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.886 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -106.51 -15.46 14.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.694 -176.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.42 ' HB1' ' HA ' ' A' ' 20' ' ' LYS . . . -47.61 -33.09 6.22 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -175.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.7 -28.93 58.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.637 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -135.28 19.31 3.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.066 0.46 . . . . 0.0 110.723 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.492 ' CB ' HD13 ' A' ' 99' ' ' LEU . . . -114.75 -14.78 11.97 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.176 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.6 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 67.6 p-90 -54.62 -34.83 26.05 Favored Pre-proline 0 CA--C 1.547 0.83 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -177.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.2 Cg_endo -54.06 -24.53 33.11 Favored 'Trans proline' 0 C--N 1.367 1.537 0 C-N-CA 121.713 1.609 . . . . 0.0 113.208 177.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.478 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 2.2 m-85 -110.65 -7.92 14.64 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -171.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -54.36 -57.15 12.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.738 0.304 . . . . 0.0 110.835 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -132.47 162.54 56.47 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.584 -177.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.8 145.36 50.54 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 123.014 2.476 . . . . 0.0 112.112 177.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.525 HG12 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -68.29 148.18 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.81 -179.211 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -86.43 66.43 9.51 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.21 -32.47 64.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.559 -170.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.2 m -67.34 -40.17 85.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.882 0.373 . . . . 0.0 110.674 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.88 -23.89 33.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.229 0.538 . . . . 0.0 110.835 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.7 mt -81.9 -4.4 56.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.351 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.77 2.87 88.85 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.179 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.554 HD12 ' HCA' ' B' ' 287' ' ' ALY . 13.1 mt -84.09 83.61 7.9 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.141 0.496 . . . . 0.0 110.708 -177.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -73.37 -13.92 61.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.874 -177.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -114.31 24.23 12.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.634 -172.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.411 ' CE1' HG23 ' A' ' 33' ' ' VAL . 86.8 t80 -67.91 -44.27 77.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.719 0.295 . . . . 0.0 111.516 -175.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -75.02 -16.44 60.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.878 0.371 . . . . 0.0 110.892 -177.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.35 -44.54 44.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.231 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -79.43 -46.22 23.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.413 -178.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.572 HD13 ' HB2' ' A' ' 85' ' ' TYR . 11.9 mm -85.26 99.56 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.778 0.323 . . . . 0.0 111.305 -175.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -69.06 -37.01 78.28 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.633 174.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -120.49 72.34 20.1 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.578 -175.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.42 107.4 1.78 Allowed 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 121.996 1.797 . . . . 0.0 112.068 176.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.603 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 32.9 tpp -132.96 149.35 52.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.605 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.415 ' CG ' ' HG1' ' A' ' 55' ' ' THR . 4.3 p30 -139.02 164.44 29.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.501 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.486 ' HG ' ' HE2' ' A' ' 78' ' ' MET . 39.1 mt -63.37 -34.59 78.06 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.216 0.451 . . . . 0.0 112.216 -175.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.2 m -65.05 -36.71 85.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.629 0.252 . . . . 0.0 110.937 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.603 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 19.2 m -76.16 -34.8 59.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.057 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.402 HG21 ' O ' ' A' ' 52' ' ' ASP . 94.4 t -60.45 -46.9 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.469 0.652 . . . . 0.0 109.29 175.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.539 ' HG3' HD11 ' A' ' 14' ' ' LEU . 10.5 tttm -64.61 -41.74 95.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.757 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -52.91 -53.46 48.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.134 177.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -71.51 -28.35 63.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.797 -177.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.433 ' HE1' ' SG ' ' A' ' 10' ' ' CYS . 29.3 ttm -66.47 -37.74 85.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.161 172.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 65.3 mt-10 -67.98 -30.88 70.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.432 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.8 OUTLIER -81.98 -3.96 55.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.325 0.583 . . . . 0.0 109.452 175.737 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 60.6 32.03 20.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.689 -1.142 . . . . 0.0 111.975 176.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -30.49 71.57 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.414 0.625 . . . . 0.0 110.246 176.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.528 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -74.63 143.38 44.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.793 -175.27 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.453 ' NE ' ' HA ' ' A' ' 66' ' ' ARG . 6.2 mmp_? -101.05 -30.48 11.59 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.797 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -144.74 164.95 29.47 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -175.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.518 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -70.34 -17.41 63.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.312 0.577 . . . . 0.0 109.971 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.36 -38.46 78.1 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.444 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.94 -32.13 72.36 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.972 176.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.602 ' O ' HG11 ' A' ' 75' ' ' VAL . 4.4 t80 -64.45 -52.51 57.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.668 172.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.603 ' O ' ' HB3' ' A' ' 76' ' ' ARG . . . -55.43 -40.38 71.44 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.476 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.73 -42.84 79.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.367 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -80.21 -45.5 17.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.282 -174.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.602 HG11 ' O ' ' A' ' 71' ' ' PHE . 3.0 p -67.79 -37.64 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 120.811 0.339 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.603 ' HB3' ' O ' ' A' ' 72' ' ' ALA . 8.1 ttm180 -68.9 -34.05 74.77 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.01 -33.31 71.82 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.503 175.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.6 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 11.6 tmm? -64.5 -53.52 46.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.645 176.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -59.5 -33.23 71.09 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.088 0.47 . . . . 0.0 110.71 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.4 m -64.44 -50.89 65.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.735 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.6 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 11.4 p30 -64.72 -25.36 67.9 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.561 -177.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 69.1 m -62.4 -47.3 84.73 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.649 175.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -72.22 -24.35 61.38 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.138 0.494 . . . . 0.0 110.481 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.486 ' HB2' ' HA ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -71.23 -28.38 64.14 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.305 -178.472 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.572 ' HB2' HD13 ' A' ' 47' ' ' ILE . 80.0 t80 -96.75 -59.78 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.807 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -82.36 134.4 48.58 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.512 -170.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -66.62 153.57 77.5 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.589 2.193 . . . . 0.0 111.33 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.89 -20.16 34.97 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.944 3.096 . . . . 0.0 113.857 -172.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -98.25 62.6 1.51 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.287 0.565 . . . . 0.0 110.13 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.587 ' HD1' HG21 ' A' ' 92' ' ' VAL . 3.7 t-80 -147.47 163.76 35.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.508 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -72.86 -39.46 66.46 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.587 HG21 ' HD1' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -66.95 -23.05 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.399 -173.697 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 90' ' ' HIS . 18.8 m -82.08 -34.47 12.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.878 177.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.88 -43.58 79.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.387 176.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 56.8 mtm -67.55 -32.26 72.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.901 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.81 -41.89 78.04 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.724 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 60.2 mtt180 -62.38 -46.84 86.79 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.974 0.416 . . . . 0.0 111.048 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 101' ' ' ASP . 59.5 tttp -67.15 -47.02 72.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.03 -177.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.492 HD13 ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -63.99 -29.87 70.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.864 174.165 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -65.76 -35.78 81.68 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.424 ' HB3' ' O ' ' A' ' 98' ' ' LYS . 6.4 t70 -59.59 -53.44 57.99 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.191 177.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.46 HG12 ' H ' ' A' ' 103' ' ' PHE . 1.5 p -63.1 -52.71 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.434 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.46 ' H ' HG12 ' A' ' 102' ' ' VAL . 3.4 t80 -54.31 -38.62 66.16 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.246 178.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -69.18 -42.98 75.14 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -64.69 -32.48 74.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.075 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.657 ' HD3' ' OE1' ' A' ' 16' ' ' GLU . 5.4 mmm180 -64.82 -48.16 75.39 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.665 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -73.64 -26.03 60.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.847 0.356 . . . . 0.0 110.269 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.87 -34.54 78.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.803 0.335 . . . . 0.0 110.977 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.502 ' HZ1' ' HB2' ' A' ' 109' ' ' LYS . 2.3 ttmp? -82.07 -22.37 36.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.255 0.55 . . . . 0.0 110.0 177.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -74.75 120.04 79.64 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.349 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -88.73 145.93 5.7 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.301 2.001 . . . . 0.0 113.359 177.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.248 1.007 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.859 177.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 44.8 m80 . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 282' ' ' ASN . . . . . 0.431 HD21 HD11 ' B' ' 286' ' ' ILE . 3.8 m-20 -93.34 93.22 8.07 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 7.9 mp -73.21 -35.59 66.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.153 0.501 . . . . 0.0 110.157 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 79.1 mt -100.68 160.68 14.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.688 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -74.15 131.84 41.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.32 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 286' ' ' ILE . . . . . 0.554 HD13 ' H ' ' B' ' 286' ' ' ILE . 0.2 OUTLIER -89.09 132.41 33.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.592 179.502 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 287' ' ' ALY . . . . . 0.554 ' HCA' HD12 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -78.23 58.97 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.298 0.571 . . . . 0.0 111.466 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -98.6 53.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.857 175.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 290' ' ' LEU . . . . . 0.581 ' H ' HD21 ' B' ' 290' ' ' LEU . 0.8 OUTLIER -83.81 76.15 10.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.443 0.64 . . . . 0.0 109.602 179.28 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -71.18 -16.36 62.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.814 -177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 12.7 m . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.636 -0.697 . . . . 0.0 109.892 178.87 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -104.66 151.18 24.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.95 0.405 . . . . 0.0 111.45 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.424 ' HG ' ' CZ ' ' A' ' 63' ' ' ARG . 68.5 mt -97.08 100.63 12.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.965 172.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.4 m -63.89 171.27 2.9 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.025 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -55.1 -40.79 70.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.932 0.396 . . . . 0.0 110.924 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -60.54 -43.22 97.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.358 176.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.521 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 88.0 mt -78.61 -28.06 45.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.184 0.516 . . . . 0.0 111.674 -174.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -72.4 -32.52 66.45 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 173.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -69.44 -38.66 77.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.773 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.531 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 13.9 p -68.27 -30.21 69.19 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.754 0.312 . . . . 0.0 110.286 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -61.63 -45.7 92.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.007 174.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.09 -41.95 92.33 Favored Glycine 0 C--N 1.33 0.226 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.485 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.498 HG12 ' HB3' ' A' ' 106' ' ' ARG . 96.0 mt -62.21 -49.26 84.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.967 0.413 . . . . 0.0 110.474 178.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.597 HD11 ' HG3' ' A' ' 57' ' ' LYS . 0.9 OUTLIER -60.03 -46.11 90.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.891 179.171 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -57.57 -39.73 77.38 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.68 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -67.88 -45.96 73.01 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.732 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.68 -23.49 66.13 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.791 177.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 18' ' ' LEU . 70.6 mt -91.17 -12.49 35.25 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.299 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.5 m -75.59 151.18 37.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.34 0.591 . . . . 0.0 111.616 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.467 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 66.5 mmtt -56.89 -22.79 39.92 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.637 -174.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -57.08 -36.82 71.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.979 0.419 . . . . 0.0 111.077 175.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -107.04 -13.57 15.15 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.581 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.467 ' HB1' ' HA ' ' A' ' 20' ' ' LYS . . . -48.11 -35.24 11.07 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -176.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.18 -25.92 48.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.04 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -138.59 16.93 2.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.015 0.436 . . . . 0.0 110.939 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.458 ' C ' ' HD2' ' A' ' 28' ' ' PRO . . . -113.43 -12.73 12.92 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.076 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.615 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 66.9 p-90 -55.19 -33.92 20.99 Favored Pre-proline 0 CA--C 1.545 0.77 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.2 Cg_endo -53.56 -25.76 34.12 Favored 'Trans proline' 0 C--N 1.368 1.589 0 C-N-CA 121.747 1.631 . . . . 0.0 113.19 176.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -111.56 -8.19 14.25 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -170.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -54.42 -53.94 47.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.71 0.29 . . . . 0.0 111.025 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -134.82 157.39 77.25 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.769 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.473 ' HD3' ' CG ' ' A' ' 52' ' ' ASP . 19.4 Cg_endo -58.08 138.7 87.31 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.698 2.265 . . . . 0.0 111.359 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.622 HG12 ' NZ ' ' B' ' 287' ' ' ALY . 0.8 OUTLIER -61.14 148.14 9.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.718 -173.58 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -91.67 72.39 5.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.802 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 40' ' ' LEU . . . -54.9 -31.52 60.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.488 -175.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.7 m -59.22 -49.83 76.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.115 0.484 . . . . 0.0 110.317 175.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.45 -26.48 46.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.989 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.3 mt -83.91 -9.69 58.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.7 -175.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.12 10.55 82.5 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.303 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.538 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 11.4 mt -91.18 98.56 11.81 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.693 0.283 . . . . 0.0 110.284 -178.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -85.58 -6.59 59.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.719 0.295 . . . . 0.0 111.289 -175.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -125.9 25.31 6.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.742 0.306 . . . . 0.0 111.801 -172.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.415 ' CE1' HG23 ' A' ' 33' ' ' VAL . 89.5 t80 -67.8 -43.68 79.13 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.811 0.338 . . . . 0.0 111.357 -175.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -79.86 -1.45 39.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.496 -175.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -94.1 -42.73 8.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.53 175.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -75.21 -44.38 43.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.998 0.428 . . . . 0.0 110.04 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.538 HD13 ' HB2' ' A' ' 85' ' ' TYR . 13.3 mm -91.77 103.11 14.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.479 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 24.9 mmtp -87.81 -25.75 23.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.773 0.321 . . . . 0.0 111.264 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -117.32 68.47 5.23 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.124 175.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.56 98.94 1.08 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.232 1.955 . . . . 0.0 112.348 176.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.441 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 29.0 tpp -120.09 149.02 42.87 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.042 178.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.492 ' O ' HG21 ' A' ' 56' ' ' VAL . 5.5 p-10 -138.03 160.11 40.24 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.666 -177.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.554 ' HB3' HD23 ' A' ' 14' ' ' LEU . 42.8 mt -62.56 -37.74 87.34 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -173.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.4 p -63.58 -39.39 94.26 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.263 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.454 ' HG1' ' CG ' ' A' ' 52' ' ' ASP . 21.3 m -73.55 -34.92 65.41 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.512 0.196 . . . . 0.0 110.955 178.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 52' ' ' ASP . 86.3 t -57.63 -45.91 86.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.597 ' HG3' HD11 ' A' ' 14' ' ' LEU . 9.0 tttm -67.69 -40.11 84.39 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.535 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -54.22 -51.33 64.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.886 176.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -69.65 -29.21 66.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.667 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.423 ' HE1' ' SG ' ' A' ' 10' ' ' CYS . 26.2 ttm -67.07 -39.73 86.89 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 172.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.22 -29.42 69.67 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 178.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.04 -5.36 53.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.496 0.665 . . . . 0.0 109.627 176.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.424 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 17.6 mmt85 56.63 41.84 27.88 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.369 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -80.84 -25.79 37.47 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.741 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.507 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -75.64 142.36 42.61 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.941 177.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -112.5 -23.41 10.29 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.431 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -144.59 162.71 35.95 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.432 ' HB1' ' HE1' ' A' ' 110' ' ' MET . . . -73.89 -15.56 61.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.318 -178.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -72.89 -31.52 64.74 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 176.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -70.44 -34.94 73.03 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.421 174.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.594 ' O ' HG11 ' A' ' 75' ' ' VAL . 6.3 t80 -64.73 -52.15 58.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.573 172.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' ' 76' ' ' ARG . . . -52.8 -39.29 62.23 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.45 178.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.52 78.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.169 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.18 -48.12 58.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.68 -177.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.594 HG11 ' O ' ' A' ' 71' ' ' PHE . 2.6 p -66.16 -41.63 89.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.467 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 7.1 ptp180 -67.79 -30.7 70.2 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -35.0 79.4 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.137 176.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.538 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 12.1 tmm? -62.38 -53.15 59.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.669 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -59.71 -36.25 76.16 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.984 0.421 . . . . 0.0 110.716 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.7 m -62.19 -51.62 67.07 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.806 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.538 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 11.1 p30 -64.66 -29.02 70.01 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.536 -176.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.544 ' SG ' HH33 ' B' ' 287' ' ' ALY . 62.6 m -59.23 -46.29 88.87 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.825 -0.171 . . . . 0.0 110.903 175.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -68.81 -24.99 64.46 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.482 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -74.22 -36.79 63.96 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.934 -178.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.538 ' HB2' HD13 ' A' ' 47' ' ' ILE . 88.3 t80 -81.96 -53.2 6.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.993 0.425 . . . . 0.0 111.281 -177.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -90.39 131.77 37.43 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.965 -171.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.26 154.26 53.68 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.567 2.178 . . . . 0.0 111.274 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.88 -19.96 16.53 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 124.107 3.204 . . . . 0.0 113.725 -173.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -104.89 78.83 1.45 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.557 ' O ' HG21 ' A' ' 93' ' ' VAL . 11.6 t-80 -157.78 155.46 29.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.441 178.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.468 ' HB3' ' HE2' ' A' ' 95' ' ' MET . 5.5 m-20 -56.8 -47.73 79.57 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -177.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.552 HG21 ' HD1' ' A' ' 90' ' ' HIS . 0.1 OUTLIER -63.63 -32.66 57.66 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -172.692 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.557 HG21 ' O ' ' A' ' 90' ' ' HIS . 12.6 m -76.07 -35.29 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.062 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.84 -40.72 79.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.394 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.468 ' HE2' ' HB3' ' A' ' 91' ' ' ASP . 55.5 mtm -68.58 -33.82 74.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.151 177.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.83 -40.59 88.02 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.138 177.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.478 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 99.5 mtt180 -61.66 -48.6 80.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.516 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 101' ' ' ASP . 61.3 tttp -67.17 -44.62 79.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.202 0.525 . . . . 0.0 110.946 -176.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.434 HD13 ' CB ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -64.54 -27.72 69.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.142 173.76 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.478 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 41.2 tt0 -62.8 -40.36 97.12 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 174.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 6.2 m-20 -55.87 -58.52 7.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 177.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.625 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.7 p -58.03 -56.51 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.482 -178.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.483 ' H ' HG12 ' A' ' 102' ' ' VAL . 6.2 t80 -54.74 -36.45 64.8 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -69.47 -46.6 66.3 Favored 'General case' 0 N--CA 1.44 -0.967 0 O-C-N 122.26 -0.275 . . . . 0.0 110.265 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -61.88 -32.82 73.21 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.034 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 26.5 mmt180 -67.9 -50.23 57.42 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.488 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -68.77 -31.06 69.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.16 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.38 -35.76 81.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.99 0.424 . . . . 0.0 111.076 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -18.78 53.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.35 0.595 . . . . 0.0 109.855 176.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.432 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 1.8 tmt? -81.89 125.75 76.91 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.735 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -90.59 146.39 4.03 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 122.448 2.099 . . . . 0.0 112.485 173.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 C--O 1.25 1.088 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.535 -179.896 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 66.8 m80 . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.74 0.305 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -80.18 61.71 4.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 111.274 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -162.3 156.03 20.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.46 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 68.5 mt -108.23 136.29 48.14 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.065 0.459 . . . . 0.0 110.338 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -67.31 140.99 57.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.291 176.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 19.8 pt -89.64 137.61 21.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.896 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 287' ' ' ALY . . . . . 0.622 ' NZ ' HG12 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -82.25 62.36 5.93 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.408 0.623 . . . . 0.0 110.666 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -104.97 50.37 0.79 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.799 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 290' ' ' LEU . . . . . 0.41 HD21 ' H ' ' B' ' 290' ' ' LEU . 2.1 pt? -128.8 163.52 25.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.774 178.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -59.09 -54.93 41.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.814 0.34 . . . . 0.0 111.05 -175.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.642 -0.694 . . . . 0.0 109.936 -179.288 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.713 -0.555 . . . . 0.0 111.713 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt 67.37 165.88 0.23 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 112.145 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.611 ' HG ' ' NH1' ' A' ' 63' ' ' ARG . 61.7 mt -118.78 110.69 17.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.608 175.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 m -66.48 177.68 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.815 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -54.25 -48.68 70.86 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.001 0.429 . . . . 0.0 111.073 -177.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 1.1 mp0 -63.33 -40.72 98.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.591 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.55 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 82.6 mt -77.81 -19.48 54.89 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.162 0.506 . . . . 0.0 110.92 -178.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -48.47 52.15 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-O 121.731 0.777 . . . . 0.0 109.432 170.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -60.58 -35.43 76.06 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.401 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.607 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 13.4 p -70.34 -29.5 66.21 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.407 -0.517 . . . . 0.0 109.985 177.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -67.32 -41.73 84.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.207 0.527 . . . . 0.0 109.725 175.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.25 -41.84 84.93 Favored Glycine 0 C--N 1.33 0.245 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.758 -178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.421 HG12 ' HB3' ' A' ' 106' ' ' ARG . 98.4 mt -62.65 -51.41 72.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.978 0.418 . . . . 0.0 110.527 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.553 HD11 ' HG3' ' A' ' 57' ' ' LYS . 1.2 tt -56.09 -46.92 78.87 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.036 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -56.31 -38.75 71.72 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.943 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' CD ' ' HE ' ' A' ' 106' ' ' ARG . 20.8 tt0 -71.41 -45.25 63.2 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.851 -176.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.16 -21.97 65.49 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 176.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 18' ' ' LEU . 75.6 mt -91.32 -15.3 29.3 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.109 177.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.0 m -69.19 149.12 48.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.15 0.5 . . . . 0.0 111.072 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 1.2 mptm? -60.35 -17.14 41.3 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.763 -175.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -56.92 -41.21 77.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.094 0.473 . . . . 0.0 110.766 173.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -104.65 -16.55 14.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.602 -175.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 20' ' ' LYS . . . -47.16 -34.81 6.57 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -176.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.71 -23.22 40.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.037 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -139.51 16.36 2.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 178.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.465 ' CB ' HD13 ' A' ' 99' ' ' LEU . . . -114.24 -14.09 12.31 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.201 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.582 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.2 p-90 -55.78 -34.64 26.79 Favored Pre-proline 0 CA--C 1.545 0.752 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -175.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 2.4 Cg_endo -54.81 -22.54 30.03 Favored 'Trans proline' 0 C--N 1.366 1.473 0 C-N-CA 121.55 1.5 . . . . 0.0 113.22 176.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.671 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 4.2 m-85 -107.25 -11.82 15.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.645 -173.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -55.82 -55.88 27.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.89 0.376 . . . . 0.0 110.988 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -131.85 157.69 77.5 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.499 -174.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -54.15 135.21 63.69 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.611 2.207 . . . . 0.0 112.144 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.444 HG12 ' NZ ' ' B' ' 287' ' ' ALY . 1.0 OUTLIER -60.06 141.89 16.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.676 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -85.04 68.24 10.48 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -174.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 40' ' ' LEU . . . -50.45 -41.38 52.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.095 -174.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.7 m -59.9 -40.29 88.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.784 0.326 . . . . 0.0 111.322 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.63 -18.9 31.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.981 0.42 . . . . 0.0 111.17 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.404 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 36.8 mt -88.61 -1.09 57.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.172 -179.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.29 0.6 83.8 Favored Glycine 0 C--N 1.329 0.161 0 C-N-CA 121.161 -0.542 . . . . 0.0 112.144 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.505 HD12 ' HCA' ' B' ' 287' ' ' ALY . 10.7 mt -83.3 90.37 7.13 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.848 0.356 . . . . 0.0 110.294 -177.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -85.11 2.29 44.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.01 0.433 . . . . 0.0 109.962 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -121.07 16.39 11.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.334 -173.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -68.09 -41.62 81.58 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.914 -0.491 . . . . 0.0 111.207 -174.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -79.87 -4.73 53.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.819 0.342 . . . . 0.0 111.322 -176.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -88.43 -40.62 13.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.019 0.437 . . . . 0.0 110.289 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 mp -80.74 -50.57 16.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.453 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.53 HD13 ' HB2' ' A' ' 85' ' ' TYR . 17.0 mm -78.31 113.9 18.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.528 -177.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 24.6 mmtp -94.4 -24.16 17.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.046 0.451 . . . . 0.0 111.603 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -121.99 68.4 25.75 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.817 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.77 110.58 2.38 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.069 1.846 . . . . 0.0 111.831 176.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.529 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 29.2 tpp -135.52 150.65 49.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.104 -176.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -136.31 148.52 47.98 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' HG ' ' HE2' ' A' ' 78' ' ' MET . 39.5 mt -56.36 -37.93 70.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 118.268 0.485 . . . . 0.0 111.749 -179.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.1 m -64.47 -31.15 72.24 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.687 0.279 . . . . 0.0 110.825 177.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.529 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 2.2 m -80.93 -35.27 32.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.466 179.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.13 -46.93 93.84 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.574 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 12.7 tttm -64.77 -41.79 95.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.807 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -55.22 -51.37 66.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.276 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -71.33 -31.87 67.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.59 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.426 ' HE1' ' SG ' ' A' ' 10' ' ' CYS . 27.5 ttm -61.82 -38.98 90.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.889 0.375 . . . . 0.0 110.158 171.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 48.6 mt-10 -64.92 -33.87 77.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.416 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -81.37 3.71 23.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.564 0.697 . . . . 0.0 109.664 176.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.611 ' NH1' ' HG ' ' A' ' 3' ' ' LEU . 2.3 mmt85 55.76 30.97 16.64 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.64 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -67.05 -16.91 64.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.494 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.55 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -91.07 136.07 33.33 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.946 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.509 ' HB2' ' OE1' ' A' ' 70' ' ' GLU . 4.8 mmp_? -97.25 -29.55 13.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.613 0.244 . . . . 0.0 110.562 177.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -144.68 163.33 34.3 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 6' ' ' GLN . . . -68.74 -17.98 64.15 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.328 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -66.99 -38.96 86.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.595 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.509 ' OE1' ' HB2' ' A' ' 66' ' ' ARG . 44.4 mt-10 -68.3 -33.65 74.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.259 177.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.607 ' CG ' ' HB2' ' A' ' 10' ' ' CYS . 3.6 t80 -64.3 -52.17 59.87 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 171.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.14 -34.91 66.57 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.596 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.4 77.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.995 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.49 -49.21 67.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.85 -177.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.563 HG11 ' O ' ' A' ' 71' ' ' PHE . 2.8 p -65.18 -40.71 89.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 111.503 -177.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -71.12 -31.16 67.4 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.359 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.0 mt -60.52 -38.74 85.36 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.212 0.53 . . . . 0.0 110.356 175.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.671 ' SD ' ' HB3' ' A' ' 29' ' ' PHE . 43.0 ttp -58.65 -50.59 73.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.179 175.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -65.37 -37.24 86.43 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.906 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.3 m -60.16 -45.55 92.7 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.526 ' HB2' HD12 ' A' ' 47' ' ' ILE . 10.3 p30 -67.63 -27.58 67.0 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.837 -177.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 64.5 m -62.95 -45.75 90.98 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.708 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -73.57 -24.96 60.16 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.094 0.473 . . . . 0.0 110.165 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -68.85 -34.38 75.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.073 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.53 ' HB2' HD13 ' A' ' 47' ' ' ILE . 72.7 t80 -88.47 -59.69 2.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.122 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -81.4 136.11 49.56 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.06 -170.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -66.58 164.48 28.72 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.906 2.404 . . . . 0.0 112.059 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -42.9 -40.28 8.24 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 124.347 3.365 . . . . 0.0 114.795 -171.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -112.19 90.79 3.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.193 0.52 . . . . 0.0 111.057 -177.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.618 ' O ' HG21 ' A' ' 93' ' ' VAL . 6.8 t-80 -150.73 157.04 42.47 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.465 ' HB3' ' HE2' ' A' ' 95' ' ' MET . 1.0 OUTLIER -57.6 -41.96 82.29 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -176.769 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.471 HG21 ' HD1' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -69.58 -21.7 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.944 0.349 . . . . 0.0 111.944 -173.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.618 HG21 ' O ' ' A' ' 90' ' ' HIS . 12.8 m -84.52 -34.31 9.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.278 -0.569 . . . . 0.0 109.688 176.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.74 -42.73 94.97 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.393 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.465 ' HE2' ' HB3' ' A' ' 91' ' ' ASP . 57.3 mtm -70.51 -33.31 71.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.353 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.26 -44.17 76.18 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.142 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 54.6 mtt180 -65.16 -41.44 94.67 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 111.475 -177.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -66.44 -46.74 75.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.192 0.52 . . . . 0.0 111.016 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.465 HD13 ' CB ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -63.44 -27.1 69.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.3 174.337 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.643 ' O ' ' HB2' ' A' ' 104' ' ' GLU . 55.7 tp60 -64.55 -36.49 84.39 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -61.58 -49.39 76.84 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.722 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.592 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.5 p -64.43 -56.15 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.283 178.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.464 ' H ' HG12 ' A' ' 102' ' ' VAL . 5.9 t80 -54.17 -38.62 65.78 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.643 ' HB2' ' O ' ' A' ' 100' ' ' GLN . 0.7 OUTLIER -59.27 -53.03 62.92 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.845 0.355 . . . . 0.0 111.22 177.146 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -65.35 -33.58 76.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.99 -175.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.592 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 29.0 mmt180 -66.32 -47.85 72.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.457 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -71.88 -24.18 61.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.236 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.77 -44.82 65.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.849 0.357 . . . . 0.0 110.82 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -70.14 -21.61 63.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -65.27 115.64 23.41 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.886 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -90.47 154.61 4.41 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.761 2.308 . . . . 0.0 112.053 176.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.041 178.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 44.1 m80 . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 43.9 t30 66.51 -79.42 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 O-C-N 124.069 0.856 . . . . 0.0 111.108 -177.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 62.7 tp -151.9 107.71 3.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.996 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 42.5 mt -99.38 141.18 32.49 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.293 0.568 . . . . 0.0 110.654 178.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -87.02 166.7 14.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.389 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 28.7 pt -120.32 3.95 6.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -172.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 287' ' ' ALY . . . . . 0.505 ' HCA' HD12 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -85.25 57.39 4.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.267 0.555 . . . . 0.0 111.466 -178.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -99.1 128.21 45.19 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 172.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 23.6 tp 65.18 81.34 0.21 Allowed 'General case' 0 C--N 1.331 -0.201 0 O-C-N 124.001 0.813 . . . . 0.0 110.367 -174.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -109.95 148.64 31.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.276 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.522 -0.752 . . . . 0.0 110.147 178.18 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 112.123 -0.391 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -90.75 119.24 30.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.582 -0.155 . . . . 0.0 110.582 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.2 mt 66.27 110.06 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.591 0.557 . . . . 0.0 111.605 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.4 m -66.45 167.42 10.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.92 173.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -51.92 -45.04 64.11 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 111.625 -175.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -61.29 -42.27 98.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.471 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.512 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 90.1 mt -76.25 -23.26 54.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.393 0.616 . . . . 0.0 111.018 -178.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -72.44 -37.95 68.44 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 173.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -69.01 -35.15 76.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.85 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.569 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 13.7 p -69.56 -29.5 67.09 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 120.656 -0.417 . . . . 0.0 110.176 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -66.93 -40.36 87.58 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.049 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.51 -40.76 53.49 Favored Glycine 0 N--CA 1.453 -0.233 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.616 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.52 HG12 ' HB3' ' A' ' 106' ' ' ARG . 84.7 mt -61.23 -50.67 79.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.743 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.554 HD11 ' HG3' ' A' ' 57' ' ' LYS . 1.5 tt -55.22 -46.46 75.94 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.37 178.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -57.5 -41.0 79.89 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.295 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -68.33 -43.81 76.73 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.402 -176.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.52 -24.0 67.63 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 18' ' ' LEU . 72.5 mt -91.1 -10.58 41.45 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.131 178.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.2 m -72.03 146.89 47.34 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.955 0.407 . . . . 0.0 110.557 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.472 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 71.1 mmtt -58.86 -18.82 36.15 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.761 -176.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -55.32 -40.71 71.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.083 173.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -105.18 -14.78 15.27 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.407 -176.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.472 ' HB1' ' HA ' ' A' ' 20' ' ' LYS . . . -48.59 -34.77 12.16 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -175.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.84 -29.28 40.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.468 0.48 . . . . 0.0 111.641 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -135.94 16.61 3.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.063 0.459 . . . . 0.0 111.009 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.508 ' CB ' HD13 ' A' ' 99' ' ' LEU . . . -113.71 -12.34 12.81 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.591 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.4 p-90 -56.39 -34.31 24.82 Favored Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -176.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.9 Cg_endo -55.16 -23.37 36.13 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 121.581 1.521 . . . . 0.0 113.083 177.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.659 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 1.7 m-85 -109.64 -8.22 14.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.725 -172.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -55.39 -55.02 36.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.644 0.259 . . . . 0.0 110.754 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -140.69 155.75 69.3 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.705 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.564 ' HD3' ' OD2' ' A' ' 52' ' ' ASP . 12.9 Cg_endo -54.35 143.74 64.14 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.602 2.868 . . . . 0.0 113.041 -174.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.512 HG12 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -63.97 143.17 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.911 -178.354 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -87.82 73.23 9.28 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.34 -29.61 48.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.851 -175.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.8 t -66.3 -44.95 82.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.854 0.359 . . . . 0.0 110.695 176.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.75 -25.21 35.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.258 0.552 . . . . 0.0 110.867 -178.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.423 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 36.3 mt -81.24 -11.98 59.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.395 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.79 9.37 85.58 Favored Glycine 0 N--CA 1.454 -0.116 0 C-N-CA 120.951 -0.643 . . . . 0.0 112.27 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.573 HD12 ' HCA' ' B' ' 287' ' ' ALY . 9.7 mt -84.17 94.53 8.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.986 0.422 . . . . 0.0 110.385 -177.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -85.09 -0.14 53.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.311 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.438 ' O ' HD11 ' A' ' 46' ' ' ILE . 5.6 p30 -125.08 21.8 8.05 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -177.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -67.27 -39.35 86.06 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.183 -0.323 . . . . 0.0 111.511 -176.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -84.04 -1.56 55.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.969 0.414 . . . . 0.0 111.051 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -87.8 -31.36 19.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.015 0.436 . . . . 0.0 110.338 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.438 HD11 ' O ' ' A' ' 42' ' ' ASP . 1.8 mp -95.93 -44.88 13.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.152 -177.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.528 HD13 ' HB2' ' A' ' 85' ' ' TYR . 16.5 mm -87.3 107.86 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.688 0.28 . . . . 0.0 111.255 -176.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.579 ' N ' ' HD2' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -87.82 -24.18 23.8 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.668 175.715 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -120.89 69.4 17.44 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.562 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.74 103.38 1.32 Allowed 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.357 2.038 . . . . 0.0 112.243 176.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.605 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 32.4 tpp -132.95 152.66 51.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.845 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.564 ' OD2' ' HD3' ' A' ' 32' ' ' PRO . 4.7 p-10 -138.99 162.14 35.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.596 177.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.413 ' HB3' HD23 ' A' ' 14' ' ' LEU . 35.5 mt -61.73 -35.08 77.05 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.4 t -68.69 -29.35 67.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.666 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.605 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 23.9 m -81.11 -35.26 31.84 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 122.385 -0.197 . . . . 0.0 111.086 175.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.3 t -58.92 -45.19 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.678 0.751 . . . . 0.0 109.126 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.554 ' HG3' HD11 ' A' ' 14' ' ' LEU . 14.8 tttm -65.06 -41.02 95.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.175 178.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -56.03 -50.74 70.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.034 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -71.58 -29.26 64.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.754 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.411 ' HE1' ' SG ' ' A' ' 10' ' ' CYS . 29.4 ttm -66.16 -37.07 84.76 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 171.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 34.1 mt-10 -64.62 -32.92 74.79 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.935 0.398 . . . . 0.0 110.62 177.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.467 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -82.5 -3.29 55.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.428 0.632 . . . . 0.0 109.559 179.229 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 57.25 35.99 26.82 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 114.182 -1.372 . . . . 0.0 111.325 175.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -74.68 -15.74 60.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.55 174.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.5 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.8 OUTLIER -82.49 137.97 34.47 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.677 179.402 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -99.11 -32.16 11.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.742 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -145.0 165.82 27.08 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.903 0.382 . . . . 0.0 110.073 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.44 ' HB1' ' HE1' ' A' ' 110' ' ' MET . . . -70.62 -17.57 62.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.526 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -67.35 -37.8 83.81 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 176.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -68.69 -32.17 71.79 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.037 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.597 ' O ' HG11 ' A' ' 75' ' ' VAL . 6.6 t80 -66.29 -52.15 50.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.78 171.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.44 -38.56 69.17 Favored 'General case' 0 CA--C 1.519 -0.231 0 O-C-N 123.355 0.409 . . . . 0.0 110.675 178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 77' ' ' LEU . . . -54.28 -48.74 70.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.642 175.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -75.89 -45.35 35.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.706 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.597 HG11 ' O ' ' A' ' 71' ' ' PHE . 3.4 p -69.96 -41.07 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -177.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -72.32 -27.39 62.4 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.619 -0.833 . . . . 0.0 109.599 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -62.68 -34.75 77.76 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.888 0.375 . . . . 0.0 110.032 172.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.659 ' SD ' ' HB3' ' A' ' 29' ' ' PHE . 44.3 ttp -59.69 -49.8 76.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.88 175.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -65.78 -33.05 74.96 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.847 0.356 . . . . 0.0 110.918 177.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.0 m -68.07 -43.07 79.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.78 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.554 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 12.8 p30 -65.97 -31.95 73.15 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.279 -0.569 . . . . 0.0 110.061 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 63.4 m -60.05 -42.55 94.72 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.992 175.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -70.93 -24.06 62.37 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.323 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -68.7 -50.3 51.98 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.089 0.471 . . . . 0.0 110.358 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.528 ' HB2' HD13 ' A' ' 47' ' ' ILE . 65.5 t80 -74.02 -60.83 2.08 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.359 -172.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -81.34 130.06 63.86 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.406 -172.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -59.33 154.14 48.9 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.48 2.12 . . . . 0.0 111.019 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.58 -18.6 8.75 Favored 'Trans proline' 0 N--CA 1.477 0.542 0 C-N-CA 124.337 3.358 . . . . 0.0 114.154 -172.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -112.42 86.0 2.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.986 0.422 . . . . 0.0 110.107 174.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.597 ' HD1' HG21 ' A' ' 92' ' ' VAL . 6.9 t-80 -161.11 151.09 17.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.427 ' HB3' ' HE2' ' A' ' 95' ' ' MET . 20.9 m-20 -53.44 -42.51 67.19 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -175.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.597 HG21 ' HD1' ' A' ' 90' ' ' HIS . 0.1 OUTLIER -67.5 -28.91 43.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -172.412 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.585 HG21 ' O ' ' A' ' 90' ' ' HIS . 13.7 m -79.36 -35.58 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.186 -0.606 . . . . 0.0 109.833 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.31 92.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.253 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.427 ' HE2' ' HB3' ' A' ' 91' ' ' ASP . 53.0 mtm -68.36 -35.83 78.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.255 176.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.01 -36.21 79.6 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.71 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 75.7 mtp180 -68.64 -43.44 76.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.062 0.458 . . . . 0.0 111.411 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -69.47 -46.26 67.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.992 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.508 HD13 ' CB ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -62.47 -27.59 69.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.218 173.509 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.422 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 25.2 tp60 -61.79 -40.15 94.21 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -62.71 -48.17 80.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.469 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.533 ' O ' ' HD3' ' A' ' 106' ' ' ARG . 1.6 p -64.17 -54.74 27.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.776 178.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.467 ' H ' HG12 ' A' ' 102' ' ' VAL . 5.0 t80 -56.11 -40.44 73.71 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.835 -0.166 . . . . 0.0 111.424 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -68.69 -38.65 80.47 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.456 -177.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -66.53 -43.78 84.24 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.533 ' HD3' ' O ' ' A' ' 102' ' ' VAL . 1.8 mpt_? -60.1 -42.05 93.85 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.245 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -76.14 -35.91 59.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.041 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.24 -37.91 86.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.459 0.647 . . . . 0.0 110.656 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -71.12 -26.63 63.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.092 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.44 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 1.9 tmt? -72.06 121.24 84.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.991 177.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -90.63 153.7 4.25 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.698 2.265 . . . . 0.0 112.582 174.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.271 178.109 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 281' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' B' ' 282' ' ' ASN . 98.4 m-70 . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 282' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' B' ' 281' ' ' HIS . 92.3 m-20 69.03 -76.23 0.06 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.383 -176.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 26.7 tp 52.3 47.11 25.41 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.595 0.712 . . . . 0.0 110.604 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 92.6 mt -100.32 158.29 15.99 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.06 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -85.23 167.94 15.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.189 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 39.2 pt -125.99 14.41 4.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.464 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 287' ' ' ALY . . . . . 0.573 ' HCA' HD12 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -88.67 60.77 5.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.359 0.6 . . . . 0.0 110.455 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -96.32 68.6 2.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.105 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 29.0 tp -109.1 81.71 1.48 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.007 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.84 67.73 10.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.707 -176.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.045 -0.979 . . . . 0.0 111.116 178.389 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 66.85 155.73 0.1 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.471 0.653 . . . . 0.0 111.533 -178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.4 mt -104.09 102.62 12.36 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.828 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.1 t -79.19 -172.55 3.2 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -50.9 -48.23 60.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.877 0.37 . . . . 0.0 111.042 -176.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.516 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 15.2 mp0 -63.41 -51.51 65.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.047 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.643 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 95.9 mt -73.06 -24.0 60.63 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.932 0.396 . . . . 0.0 111.865 -175.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -73.85 -36.29 64.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 172.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.435 ' O ' HG13 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -70.17 -38.07 75.33 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.722 178.013 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.643 ' SG ' ' HA ' ' A' ' 7' ' ' LEU . 13.9 p -68.29 -31.15 70.39 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.186 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -68.36 -37.77 80.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.094 0.473 . . . . 0.0 110.02 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.73 -41.01 44.01 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.353 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.45 HG12 ' HB3' ' A' ' 106' ' ' ARG . 88.2 mt -61.99 -49.22 85.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.953 0.406 . . . . 0.0 110.268 178.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.548 HD11 ' HG3' ' A' ' 57' ' ' LYS . 1.3 tt -56.39 -44.67 80.47 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.657 177.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -57.43 -38.19 73.99 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.246 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.582 ' OE1' ' HD3' ' A' ' 106' ' ' ARG . 31.4 tt0 -71.97 -42.23 66.78 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.515 -176.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.2 mt -63.26 -22.43 66.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.185 0.516 . . . . 0.0 109.896 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 18' ' ' LEU . 80.5 mt -92.35 -14.83 28.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.829 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.8 m -68.1 148.26 51.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.271 0.557 . . . . 0.0 110.971 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 73.0 mmtt -62.08 -17.0 56.16 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.194 -172.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -59.69 -38.73 82.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.087 0.47 . . . . 0.0 110.537 173.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -103.35 -16.62 15.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.422 -175.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.417 ' HB1' ' HA ' ' A' ' 20' ' ' LYS . . . -48.41 -34.07 10.28 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.877 0.735 . . . . 0.0 112.581 -177.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.57 -21.74 40.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.98 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -141.48 19.19 2.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.972 0.415 . . . . 0.0 110.841 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.455 ' C ' ' HD2' ' A' ' 28' ' ' PRO . . . -116.57 -14.24 10.88 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.342 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.606 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.5 p-90 -55.47 -34.07 22.29 Favored Pre-proline 0 CA--C 1.547 0.86 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -176.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -53.46 -23.75 25.78 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 121.736 1.624 . . . . 0.0 113.182 177.114 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -110.83 -8.97 14.48 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -171.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -55.22 -57.4 11.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.685 0.278 . . . . 0.0 110.872 176.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -127.92 155.03 78.27 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -174.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -53.51 141.51 62.27 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.252 2.635 . . . . 0.0 112.295 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.537 HG12 ' NZ ' ' B' ' 287' ' ' ALY . 0.8 OUTLIER -66.79 141.82 17.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.693 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -86.9 67.97 9.96 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.57 -43.8 62.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.327 -170.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.6 m -60.7 -38.93 86.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.911 0.386 . . . . 0.0 110.559 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.13 -31.14 61.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.803 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.5 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -88.99 4.55 47.82 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 119.714 -0.794 . . . . 0.0 110.862 179.319 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.25 16.54 78.2 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.767 176.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.57 HD12 ' HCA' ' B' ' 287' ' ' ALY . 9.5 mt -92.46 93.14 8.42 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.076 0.465 . . . . 0.0 109.855 -178.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -85.41 -7.84 58.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.227 -174.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.443 ' OD2' ' HD3' ' B' ' 285' ' ' ARG . 15.9 p30 -112.76 13.29 19.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.152 -0.477 . . . . 0.0 112.161 -175.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.425 ' CE1' HG23 ' A' ' 33' ' ' VAL . 78.9 t80 -62.8 -40.61 97.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -173.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -83.33 -3.51 57.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.909 0.385 . . . . 0.0 110.986 -176.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -91.57 -40.53 11.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.236 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -81.51 -47.18 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.973 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' A' ' 85' ' ' TYR . 20.4 mm -85.22 108.13 16.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.455 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -94.54 -19.92 20.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.703 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -123.49 67.28 37.27 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.121 175.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.04 104.94 1.44 Allowed 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.608 2.205 . . . . 0.0 112.286 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.588 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 29.8 tpp -130.33 150.42 51.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.912 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.74 148.97 49.03 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -175.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.495 ' HG ' ' HE2' ' A' ' 78' ' ' MET . 36.0 mt -56.34 -42.44 77.7 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.583 0.629 . . . . 0.0 112.065 -178.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.8 m -62.11 -28.8 69.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.668 0.271 . . . . 0.0 111.14 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.588 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 2.5 m -81.21 -35.37 31.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.701 0.286 . . . . 0.0 110.437 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.17 -47.52 93.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.466 0.651 . . . . 0.0 109.318 174.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.548 ' HG3' HD11 ' A' ' 14' ' ' LEU . 9.4 tttm -63.34 -41.18 98.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.845 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -55.78 -52.14 64.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.191 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -71.04 -28.51 64.43 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.506 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.506 ' HE1' ' SG ' ' A' ' 10' ' ' CYS . 27.2 ttm -67.2 -38.13 84.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.217 171.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 44.5 mt-10 -66.97 -30.94 71.2 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.537 178.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.432 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -79.96 -2.78 45.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.494 0.664 . . . . 0.0 109.382 176.212 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 56.48 34.68 24.72 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 114.374 -1.285 . . . . 0.0 111.205 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.45 -10.53 59.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.708 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.475 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 1.3 m-30 -86.92 144.77 26.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.643 178.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -98.81 -35.67 10.05 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.339 176.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -148.67 179.66 7.66 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.413 0.625 . . . . 0.0 112.065 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.516 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -75.71 -16.12 60.2 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.607 -177.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -75.66 -37.09 59.92 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -65.84 -33.44 75.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.082 0.467 . . . . 0.0 109.928 173.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.619 ' CG ' ' HB2' ' A' ' 10' ' ' CYS . 7.4 t80 -63.65 -54.76 30.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.552 172.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.804 ' O ' ' HG3' ' A' ' 76' ' ' ARG . . . -53.07 -46.42 68.56 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.976 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.77 -44.95 49.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.137 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -77.44 -46.56 22.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.452 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.564 HG11 ' O ' ' A' ' 71' ' ' PHE . 2.6 p -66.26 -40.46 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 120.53 0.205 . . . . 0.0 111.522 -178.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.804 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 11.6 mtp180 -69.67 -33.24 72.3 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mt -59.89 -35.27 74.48 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.981 175.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.672 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 11.9 tmm? -64.07 -51.17 65.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.959 177.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -60.26 -37.16 79.56 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.047 0.451 . . . . 0.0 110.457 176.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.1 m -64.07 -46.01 86.22 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.988 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.672 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 11.8 p30 -66.21 -30.86 71.4 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.65 -176.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 20.4 t -62.83 -44.42 96.19 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.474 176.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -66.33 -24.92 66.61 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.992 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -69.52 -48.88 59.08 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.044 0.449 . . . . 0.0 110.782 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.557 ' HB2' HD13 ' A' ' 47' ' ' ILE . 65.1 t80 -78.2 -59.18 2.89 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.993 -172.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -82.73 128.12 67.43 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.358 -172.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -61.15 153.34 65.43 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.366 2.044 . . . . 0.0 111.723 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -51.13 -19.21 5.73 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 124.74 3.627 . . . . 0.0 114.705 -172.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -110.28 66.72 0.63 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.12 0.486 . . . . 0.0 110.562 176.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.647 ' O ' HG21 ' A' ' 93' ' ' VAL . 21.5 t-80 -145.42 147.54 32.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.481 177.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.477 ' HB3' ' HE2' ' A' ' 95' ' ' MET . 21.1 m-20 -51.1 -44.17 61.23 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -174.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.479 HG21 ' HD1' ' A' ' 90' ' ' HIS . 0.1 OUTLIER -66.0 -26.43 38.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -172.59 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.647 HG21 ' O ' ' A' ' 90' ' ' HIS . 9.9 m -81.26 -35.31 14.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.03 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.04 -39.24 86.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.011 176.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.477 ' HE2' ' HB3' ' A' ' 91' ' ' ASP . 54.3 mtm -71.2 -35.6 71.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.445 177.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.92 -28.7 66.9 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.345 0.593 . . . . 0.0 110.086 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.448 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 41.9 ttp180 -77.08 -42.93 36.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.057 -177.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -72.76 -40.51 65.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.117 0.484 . . . . 0.0 110.612 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.453 HD13 ' CB ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -65.23 -27.08 68.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 173.042 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.448 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 7.1 tp-100 -61.96 -43.42 98.88 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 172.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -56.14 -48.43 76.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.545 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.488 HG12 ' H ' ' A' ' 103' ' ' PHE . 1.4 p -69.37 -53.61 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 121.084 -0.246 . . . . 0.0 111.554 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.495 ' CE2' ' HG2' ' A' ' 76' ' ' ARG . 5.3 t80 -55.77 -38.99 70.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.639 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -73.55 -30.82 63.29 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -176.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -69.62 -36.93 76.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.579 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.582 ' HD3' ' OE1' ' A' ' 16' ' ' GLU . 6.6 mmm180 -64.87 -51.96 59.18 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.249 178.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -68.97 -32.62 72.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.778 -177.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.34 81.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.956 0.408 . . . . 0.0 111.054 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -87.56 -9.49 54.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.692 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -76.24 120.5 81.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.011 173.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -83.55 147.08 12.33 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.13 1.887 . . . . 0.0 112.526 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.469 -0.777 . . . . 0.0 109.908 179.942 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 54.2 t60 . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 121.07 0.462 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -95.68 -43.62 7.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.242 0.544 . . . . 0.0 109.585 175.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 6.7 mp -89.95 156.05 18.7 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.171 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 62.3 tp -114.6 143.73 44.53 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 285' ' ' ARG . . . . . 0.443 ' HD3' ' OD2' ' A' ' 42' ' ' ASP . 5.7 mpt_? -73.01 143.63 47.49 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 40.2 pt -95.26 132.25 39.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.071 0.462 . . . . 0.0 109.941 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 287' ' ' ALY . . . . . 0.57 ' HCA' HD12 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.8 65.97 3.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.637 0.732 . . . . 0.0 109.898 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -116.74 45.89 1.74 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.649 176.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 80.3 mt -74.52 85.35 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.065 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -80.27 109.69 14.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.729 -176.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.247 0.931 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.404 179.295 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 48.9 mmtm 61.95 85.34 0.12 Allowed 'General case' 0 C--O 1.234 0.278 0 C-N-CA 122.757 0.423 . . . . 0.0 110.781 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 76.5 mt 69.36 113.99 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.801 -175.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.3 t -70.16 169.63 13.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.624 175.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -53.12 -44.79 67.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.306 0.574 . . . . 0.0 110.134 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.431 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 1.6 mp0 -60.16 -42.14 94.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.33 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.552 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 93.1 mt -78.43 -26.47 46.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.518 -175.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.69 -35.64 67.7 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 174.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -71.81 -33.98 68.97 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.092 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.552 ' SG ' ' HA ' ' A' ' 7' ' ' LEU . 13.7 p -69.08 -29.42 67.51 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -67.65 -39.18 84.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.623 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.28 -42.01 58.2 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.692 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.401 HG12 ' HB3' ' A' ' 106' ' ' ARG . 97.2 mt -61.35 -49.29 85.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 0.0 110.536 178.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.597 HD11 ' HG3' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -58.04 -46.84 84.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.63 178.716 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -55.32 -37.43 67.4 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.139 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.475 ' CD ' ' HE ' ' A' ' 106' ' ' ARG . 27.4 tt0 -75.97 -42.27 48.91 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.128 -176.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.93 -21.76 66.62 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 18' ' ' LEU . 58.9 mt -92.7 -11.92 32.8 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.292 177.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.0 p -69.3 150.13 47.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.293 0.568 . . . . 0.0 110.755 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 31.4 mmtp -62.65 -14.54 44.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.853 -176.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -62.9 -37.15 85.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.677 175.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -104.66 -13.41 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.251 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB1' ' HA ' ' A' ' 20' ' ' LYS . . . -48.24 -35.74 12.58 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.77 -28.38 34.39 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.856 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -136.36 19.95 3.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.926 0.393 . . . . 0.0 110.765 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' CB ' HD13 ' A' ' 99' ' ' LEU . . . -117.47 -11.51 10.51 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.579 ' CD2' ' HD3' ' A' ' 28' ' ' PRO . 68.7 p-90 -56.3 -35.49 35.62 Favored Pre-proline 0 CA--C 1.546 0.799 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -176.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.579 ' HD3' ' CD2' ' A' ' 27' ' ' TRP . 2.4 Cg_endo -56.11 -20.24 30.06 Favored 'Trans proline' 0 C--N 1.367 1.508 0 C-N-CA 121.572 1.514 . . . . 0.0 113.427 177.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.437 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 1.0 OUTLIER -112.5 -8.19 13.87 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -173.335 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -57.09 -56.0 27.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.798 0.333 . . . . 0.0 110.918 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -129.83 154.6 81.09 Favored Pre-proline 0 N--CA 1.446 -0.666 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.618 -174.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -53.99 138.08 69.73 Favored 'Trans proline' 0 C--O 1.236 0.413 0 C-N-CA 122.94 2.427 . . . . 0.0 112.257 177.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.444 HG12 ' NZ ' ' B' ' 287' ' ' ALY . 0.8 OUTLIER -62.13 143.41 15.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.836 -178.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -89.14 70.5 8.37 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.831 -177.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.51 -36.68 55.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.411 -176.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.3 m -59.97 -42.22 93.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.003 0.43 . . . . 0.0 111.055 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.55 -26.01 26.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.199 0.523 . . . . 0.0 110.768 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.41 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 41.2 mt -80.99 -7.69 59.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.072 -178.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.67 7.26 88.32 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.035 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.517 HD12 ' HCA' ' B' ' 287' ' ' ALY . 9.1 mt -85.82 92.28 8.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.06 0.457 . . . . 0.0 110.15 -177.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -85.55 3.31 41.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.104 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -126.97 18.62 7.17 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -176.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -64.92 -41.28 95.69 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.074 -0.391 . . . . 0.0 111.268 -174.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -77.4 -11.51 59.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.737 -177.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -84.42 -41.97 16.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.068 0.461 . . . . 0.0 110.227 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -80.87 -43.95 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.775 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.567 HD13 ' HB2' ' A' ' 85' ' ' TYR . 13.7 mm -89.02 109.87 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.789 -178.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -92.11 -24.69 19.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.682 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -120.56 70.41 17.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.148 174.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.43 99.87 0.63 Allowed 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.517 2.145 . . . . 0.0 111.889 176.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.617 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 31.5 tpp -126.77 145.65 50.54 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.324 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -136.87 156.01 49.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.787 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.535 ' HB3' HD23 ' A' ' 14' ' ' LEU . 38.6 mt -58.24 -38.79 77.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 118.092 0.405 . . . . 0.0 111.984 -176.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.4 p -60.2 -35.62 75.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.905 0.384 . . . . 0.0 110.903 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.617 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 2.5 m -78.81 -34.33 45.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.79 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.8 t -60.65 -46.19 96.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.597 ' HG3' HD11 ' A' ' 14' ' ' LEU . 14.3 tttt -65.55 -39.37 91.66 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.14 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 55' ' ' THR . 76.1 ttt180 -53.02 -52.39 58.6 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.27 175.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -74.86 -28.05 60.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.926 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.443 ' HE1' ' SG ' ' A' ' 10' ' ' CYS . 29.6 ttm -64.66 -40.61 95.72 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.233 170.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -65.72 -29.07 69.55 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 120.978 0.418 . . . . 0.0 110.885 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.86 -2.0 49.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.397 0.618 . . . . 0.0 109.78 176.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 58.03 33.65 23.4 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.527 176.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -73.35 -20.02 60.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.288 0.566 . . . . 0.0 110.479 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.52 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.8 OUTLIER -82.98 133.19 35.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.617 -178.448 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -90.16 -34.12 15.97 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.843 0.354 . . . . 0.0 110.504 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -143.63 168.38 20.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.166 -174.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.431 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -71.76 -15.94 62.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.237 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -69.93 -36.63 75.49 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.449 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -67.54 -35.36 78.93 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.261 0.553 . . . . 0.0 109.853 174.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.614 ' O ' HG11 ' A' ' 75' ' ' VAL . 4.9 t80 -63.29 -53.19 56.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.713 172.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.476 ' HA ' ' CG1' ' A' ' 75' ' ' VAL . . . -54.69 -39.05 67.75 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.387 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.73 78.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.126 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.2 -45.05 27.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.178 -0.464 . . . . 0.0 112.035 -176.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.614 HG11 ' O ' ' A' ' 71' ' ' PHE . 2.7 p -65.27 -40.67 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.732 0.301 . . . . 0.0 110.999 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -68.87 -31.87 71.11 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -33.13 75.25 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.479 177.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.646 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 12.6 tmm? -63.25 -51.74 64.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.386 175.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -59.07 -34.72 72.29 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.112 0.482 . . . . 0.0 110.512 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.3 m -68.04 -46.1 72.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.033 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.646 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 11.8 p30 -66.83 -25.91 66.66 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.556 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 20.0 t -66.4 -46.47 76.5 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.388 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -66.23 -23.9 66.51 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.221 0.534 . . . . 0.0 110.343 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -42.55 51.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.61 -176.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.567 ' HB2' HD13 ' A' ' 47' ' ' ILE . 83.2 t80 -82.42 -52.04 7.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.967 0.413 . . . . 0.0 111.149 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -85.91 131.52 46.72 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.034 -174.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -63.31 157.16 51.65 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.412 2.075 . . . . 0.0 111.696 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -50.14 -25.13 12.42 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 124.531 3.487 . . . . 0.0 114.9 -169.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -113.81 76.67 1.0 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.256 0.55 . . . . 0.0 110.408 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.625 ' O ' HG21 ' A' ' 93' ' ' VAL . 20.8 t-80 -143.91 154.06 42.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -55.71 -41.9 74.48 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -174.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.469 HG21 ' HD1' ' A' ' 90' ' ' HIS . 0.1 OUTLIER -68.01 -30.03 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.734 -173.564 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.625 HG21 ' O ' ' A' ' 90' ' ' HIS . 13.6 m -76.87 -34.12 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.89 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.87 -40.67 83.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.444 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 54.9 mtm -70.43 -36.98 74.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.312 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.24 -32.43 73.85 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.441 0.639 . . . . 0.0 109.751 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 53.2 ttt180 -70.01 -45.93 66.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.159 -177.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -70.7 -41.24 72.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 110.9 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.466 ' HA ' HG13 ' A' ' 102' ' ' VAL . 0.3 OUTLIER -64.76 -26.4 68.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.031 173.309 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.481 ' O ' ' HB2' ' A' ' 104' ' ' GLU . 7.6 tp-100 -64.68 -38.66 91.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 173.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -62.38 -46.7 87.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.381 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.622 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.5 p -66.36 -55.7 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.812 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.484 ' H ' HG12 ' A' ' 102' ' ' VAL . 4.2 t80 -53.3 -37.81 62.58 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 123.194 0.309 . . . . 0.0 111.814 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 100' ' ' GLN . 0.7 OUTLIER -60.01 -54.72 42.65 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.841 0.353 . . . . 0.0 110.98 177.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -64.41 -32.11 73.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.766 -177.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.622 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 55.2 mmt-85 -66.19 -44.06 85.05 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.415 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -72.42 -29.18 63.49 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.714 -0.395 . . . . 0.0 109.956 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.15 -48.48 78.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 110.773 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -67.59 -29.09 68.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.347 0.594 . . . . 0.0 109.907 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.405 ' HE1' ' CB ' ' A' ' 68' ' ' ALA . 2.0 tmt? -67.94 123.74 87.85 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.322 176.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -87.42 144.46 6.77 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.066 1.844 . . . . 0.0 112.439 175.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 . . . . . 0 C--O 1.248 0.974 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.573 179.667 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 36.7 m80 . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 55.19 65.13 1.57 Allowed 'General case' 0 C--N 1.332 -0.167 0 O-C-N 123.735 0.647 . . . . 0.0 110.785 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 42.2 tp -76.0 67.9 2.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.474 0.654 . . . . 0.0 109.678 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 284' ' ' LEU . . . . . 0.488 ' C ' ' HD2' ' B' ' 285' ' ' ARG . 25.7 mt -82.98 -86.97 0.1 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.335 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 285' ' ' ARG . . . . . 0.488 ' HD2' ' C ' ' B' ' 284' ' ' LEU . 7.3 mpt_? -134.51 166.17 23.5 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.785 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 35.4 pt -128.48 15.58 2.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.266 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 287' ' ' ALY . . . . . 0.517 ' HCA' HD12 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -81.17 53.01 1.92 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.658 0.742 . . . . 0.0 109.992 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -109.05 66.12 0.63 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.321 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 68.3 mt -102.25 121.35 42.08 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -81.32 63.95 5.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.599 0.714 . . . . 0.0 110.565 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 C--O 1.247 0.963 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.122 179.364 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 34.7 mmtp 62.91 67.15 0.7 Allowed 'General case' 0 C--N 1.332 -0.158 0 O-C-N 123.654 0.267 . . . . 0.0 110.473 -178.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 66.6 mt 73.88 117.19 0.05 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.534 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.6 t -65.74 164.03 15.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.272 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -53.54 -45.35 69.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.974 0.416 . . . . 0.0 111.082 -176.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -61.71 -40.4 94.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.223 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.539 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 96.8 mt -76.11 -23.74 54.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.314 0.578 . . . . 0.0 111.082 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -73.83 -34.03 64.38 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 172.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -71.68 -34.83 70.0 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.807 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.561 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 14.5 p -70.27 -31.12 68.34 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.196 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -65.15 -40.4 94.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.22 0.534 . . . . 0.0 109.888 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.26 -39.88 61.65 Favored Glycine 0 N--CA 1.451 -0.31 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.543 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.414 HG12 ' HB3' ' A' ' 106' ' ' ARG . 95.1 mt -63.13 -48.46 87.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.778 0.323 . . . . 0.0 110.665 178.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.546 HD11 ' HG3' ' A' ' 57' ' ' LYS . 1.2 tt -58.22 -44.9 88.44 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.55 178.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -58.41 -37.54 75.54 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.072 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -71.7 -41.84 68.11 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.066 -176.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.85 -21.91 66.5 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 18' ' ' LEU . 82.1 mt -92.07 -10.67 38.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.997 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.4 m -69.87 149.94 47.32 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.176 0.512 . . . . 0.0 110.901 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 tmtp? -61.21 -20.95 63.38 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.151 -174.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -58.16 -35.79 72.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.189 175.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -106.8 -14.88 14.88 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.476 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.31 -34.19 15.0 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -176.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.29 -21.77 37.09 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.542 0.527 . . . . 0.0 112.021 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -141.98 20.15 2.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.931 0.396 . . . . 0.0 110.941 178.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.469 ' C ' ' HD2' ' A' ' 28' ' ' PRO . . . -119.25 -14.76 9.22 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.57 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.583 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 69.5 p-90 -54.87 -36.04 40.23 Favored Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -174.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 6.9 Cg_endo -56.67 -23.31 48.57 Favored 'Trans proline' 0 C--N 1.367 1.544 0 C-N-CA 121.587 1.525 . . . . 0.0 113.094 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.541 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 2.2 m-85 -106.16 -8.38 17.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.202 -173.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -54.32 -51.26 65.24 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.585 174.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.527 ' HB2' ' HZ3' ' A' ' 31' ' ' LYS . 9.6 mtmp? -139.94 155.72 70.85 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.582 -177.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.96 139.67 60.34 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.594 2.863 . . . . 0.0 112.902 -177.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.431 HG23 ' CE1' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -59.84 143.39 14.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 177.097 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -85.31 62.79 7.71 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.26 -43.91 43.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.013 -0.994 . . . . 0.0 112.567 -170.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.9 m -61.8 -39.12 90.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.896 0.379 . . . . 0.0 111.317 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.79 -26.65 34.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.318 0.58 . . . . 0.0 110.635 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.451 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 38.4 mt -75.99 -9.53 58.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.041 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.15 8.83 77.88 Favored Glycine 0 N--CA 1.452 -0.238 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.578 HD12 ' HCA' ' B' ' 287' ' ' ALY . 6.3 mt -95.49 83.8 3.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.282 -0.459 . . . . 0.0 110.256 -176.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -84.64 0.9 48.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.108 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -107.59 8.5 29.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.275 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.431 ' CE1' HG23 ' A' ' 33' ' ' VAL . 82.1 t80 -68.6 -44.52 74.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -169.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -83.22 5.15 23.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.922 0.391 . . . . 0.0 111.362 -177.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -98.53 -44.41 6.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.482 174.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -74.48 -48.7 34.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.559 HD13 ' HB2' ' A' ' 85' ' ' TYR . 32.8 mm -87.74 105.98 15.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.986 -176.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 24.7 mmtp -86.2 -24.23 26.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.954 179.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -121.16 69.03 18.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.576 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -70.19 109.36 2.38 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.348 2.032 . . . . 0.0 111.457 173.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.599 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 30.5 tpp -133.18 149.66 52.03 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.162 -179.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -138.11 152.84 49.14 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -177.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.544 ' HG ' ' HE3' ' A' ' 78' ' ' MET . 36.5 mt -54.67 -39.8 68.43 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 118.182 0.446 . . . . 0.0 111.71 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.4 p -57.04 -42.96 81.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.957 0.408 . . . . 0.0 110.839 176.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.599 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 3.6 m -74.88 -34.45 62.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.5 t -60.06 -47.12 93.11 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.366 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.546 ' HG3' HD11 ' A' ' 14' ' ' LEU . 11.2 tttm -66.36 -41.58 89.27 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.909 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -54.63 -51.82 64.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.066 177.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -70.06 -28.65 65.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.581 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.403 ' HE1' ' SG ' ' A' ' 10' ' ' CYS . 27.7 ttm -68.19 -36.33 79.4 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 173.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.43 ' OE1' ' HA ' ' A' ' 61' ' ' GLU . 6.0 mm-40 -66.94 -32.13 73.17 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.432 178.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.427 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -82.62 -0.89 49.18 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.226 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 56.72 35.45 26.2 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.384 -1.28 . . . . 0.0 111.415 175.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -13.14 61.77 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.234 174.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.479 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 1.3 m-30 -87.16 137.01 32.71 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.246 -176.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -95.65 -31.02 13.46 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.891 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -152.85 179.49 8.61 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.051 0.453 . . . . 0.0 110.653 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HB1' ' HE1' ' A' ' 110' ' ' MET . . . -79.27 -17.86 53.89 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.651 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -70.39 -36.42 74.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.419 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -69.95 -31.7 69.57 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.86 176.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.601 ' O ' HG11 ' A' ' 75' ' ' VAL . 6.2 t80 -65.56 -52.5 51.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.614 171.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.07 -42.03 65.43 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.067 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.97 -46.37 78.63 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.377 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.67 -51.0 38.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.552 -178.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.601 HG11 ' O ' ' A' ' 71' ' ' PHE . 2.7 p -66.8 -40.15 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.724 -176.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -69.23 -29.18 67.06 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.004 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 mt -65.49 -35.26 80.37 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.535 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.598 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 4.4 ttp -61.74 -47.38 85.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.93 175.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -66.31 -37.05 84.5 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.677 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.3 m -64.09 -47.09 81.42 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.72 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.598 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 9.5 p30 -66.73 -29.14 69.05 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.596 -176.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 15.6 t -63.18 -45.16 93.08 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.654 175.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.98 -23.93 66.68 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.564 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -74.36 -48.48 27.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.85 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.559 ' HB2' HD13 ' A' ' 47' ' ' ILE . 77.5 t80 -74.82 -50.56 16.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.303 0.573 . . . . 0.0 110.898 -177.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -97.84 131.75 26.17 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.026 -168.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.77 155.66 69.05 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.767 2.312 . . . . 0.0 111.471 176.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.38 -20.21 11.12 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 124.273 3.315 . . . . 0.0 114.021 -173.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -98.91 77.52 2.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.98 0.419 . . . . 0.0 110.367 176.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -161.03 169.58 22.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.96 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.457 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 17.2 p-10 -67.76 -51.14 52.62 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.656 0.265 . . . . 0.0 111.585 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.7 m -63.36 -29.11 46.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -172.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.0 m -77.85 -33.9 19.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.92 0.39 . . . . 0.0 110.165 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.59 -40.86 69.6 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.974 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.457 ' HE2' ' HB2' ' A' ' 91' ' ' ASP . 52.2 mtm -71.03 -35.68 72.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.529 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' A' ' 100' ' ' GLN . . . -69.82 -24.18 63.43 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 121.08 0.467 . . . . 0.0 109.838 177.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.425 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 42.2 ttm180 -79.53 -44.67 20.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -71.96 -42.26 66.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.579 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.454 HD13 ' CB ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -64.84 -28.76 69.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.615 172.748 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.503 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 6.3 tp-100 -60.98 -40.89 95.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 174.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.12 -50.85 71.57 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.468 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.485 HG12 ' H ' ' A' ' 103' ' ' PHE . 1.6 p -63.79 -54.56 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.246 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.485 ' H ' HG12 ' A' ' 102' ' ' VAL . 4.5 t80 -56.26 -41.87 76.49 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.72 -27.36 62.96 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.493 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -74.25 -40.03 62.63 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 25.3 mmm180 -64.64 -39.26 93.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.669 -178.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -77.27 -34.2 55.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.58 -34.34 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.226 0.536 . . . . 0.0 110.539 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -79.13 -20.99 47.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.937 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.416 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 2.0 tmt? -72.13 122.37 87.19 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.829 173.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -86.33 149.69 9.11 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.318 2.012 . . . . 0.0 112.73 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 31.4 t70 . . . . . 0 C--O 1.248 0.978 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.827 178.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 39.9 m80 . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -71.84 -62.63 1.35 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.206 -173.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.78 -62.43 1.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.725 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 24.3 mt -138.48 172.7 12.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.204 0.526 . . . . 0.0 110.769 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 285' ' ' ARG . . . . . 0.441 ' HD2' ' N ' ' B' ' 285' ' ' ARG . 7.2 mpt_? -107.18 156.56 18.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 33.8 pt -115.84 16.08 7.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -173.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 287' ' ' ALY . . . . . 0.578 ' HCA' HD12 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -83.08 59.49 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.328 0.585 . . . . 0.0 110.379 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -114.03 121.72 44.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.124 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 52.77 52.67 13.51 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.703 0.627 . . . . 0.0 110.015 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -81.65 70.02 8.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.675 -176.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.243 -0.884 . . . . 0.0 108.755 176.633 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 111.759 -0.537 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -121.54 168.4 11.78 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.771 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 3.9 mt 61.2 21.86 12.26 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.7 t 48.86 -170.11 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.828 0.823 . . . . 0.0 112.663 178.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -86.49 -49.73 7.37 Favored 'General case' 0 C--N 1.316 -0.856 0 O-C-N 121.897 -0.502 . . . . 0.0 110.179 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.461 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 1.6 mp0 -61.55 -45.51 93.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.771 ' HB2' ' O ' ' A' ' 3' ' ' LEU . 88.9 mt -75.52 -31.62 60.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.705 -175.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -64.22 -35.52 81.1 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.565 -0.709 . . . . 0.0 109.862 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -71.6 -34.86 70.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.971 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.579 ' SG ' ' HA ' ' A' ' 7' ' ' LEU . 14.5 p -71.11 -30.06 66.04 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.993 178.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -63.5 -41.59 98.52 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.008 176.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.86 -41.09 56.51 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.404 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.28 -50.21 81.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.34 . . . . 0.0 110.685 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.589 HD11 ' HG3' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -55.98 -49.27 74.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.642 178.255 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -53.05 -39.59 63.36 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.956 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -71.18 -45.3 63.71 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.487 -175.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.79 -22.49 66.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.771 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 18' ' ' LEU . 47.6 mt -92.21 -9.97 40.3 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.159 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -75.23 147.92 39.91 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.271 0.558 . . . . 0.0 111.183 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.486 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 30.4 mmtp -57.9 -22.22 47.38 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 114.96 -1.018 . . . . 0.0 112.058 -175.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -53.7 -39.38 65.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.199 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -106.25 -14.82 15.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.501 -177.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.486 ' HB1' ' HA ' ' A' ' 20' ' ' LYS . . . -49.75 -33.19 15.51 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -175.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.82 -22.74 26.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.739 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -141.67 20.31 2.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.898 0.38 . . . . 0.0 110.819 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.482 ' CB ' HD13 ' A' ' 99' ' ' LEU . . . -117.14 -13.58 10.53 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.559 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.589 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 69.4 p-90 -56.27 -34.56 26.62 Favored Pre-proline 0 CA--C 1.548 0.9 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -176.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.3 Cg_endo -55.13 -17.32 14.6 Favored 'Trans proline' 0 C--N 1.372 1.776 0 C-N-CA 121.747 1.631 . . . . 0.0 113.375 176.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.412 ' CD1' HD12 ' A' ' 99' ' ' LEU . 2.0 m-85 -114.35 -9.46 12.78 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -56.25 -54.41 45.62 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.695 0.283 . . . . 0.0 111.184 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -133.44 160.21 69.52 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.32 146.92 70.1 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.611 2.207 . . . . 0.0 111.998 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.426 HG23 ' CE1' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -68.3 146.31 12.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.478 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -89.17 69.2 8.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.899 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.2 -30.33 59.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.132 -174.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.3 m -68.88 -39.48 79.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.76 0.314 . . . . 0.0 110.783 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.8 -21.25 29.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.189 0.519 . . . . 0.0 111.057 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.455 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 41.7 mt -85.45 -11.06 55.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.16 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.96 4.07 90.39 Favored Glycine 0 C--N 1.329 0.144 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.225 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.535 HD12 ' HCA' ' B' ' 287' ' ' ALY . 11.0 mt -81.46 85.43 6.48 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.96 0.409 . . . . 0.0 110.22 -177.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -74.68 -7.37 53.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.881 -175.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -120.01 19.54 12.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -174.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.434 ' CE1' HG13 ' A' ' 47' ' ' ILE . 86.3 t80 -62.27 -33.96 75.64 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.195 -0.316 . . . . 0.0 111.652 -175.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -85.12 -3.73 58.9 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -174.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -89.5 -47.18 8.15 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.728 0.775 . . . . 0.0 109.75 173.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.1 mp -75.45 -42.94 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.924 0 CA-C-N 114.379 -1.282 . . . . 0.0 111.279 -173.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.603 HD12 ' HB3' ' A' ' 81' ' ' ASN . 8.4 mm -87.29 98.69 7.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-O 121.094 0.473 . . . . 0.0 109.917 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 55.0 mmtt -84.67 -22.47 29.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.669 -176.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -125.25 58.57 20.48 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.565 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -64.78 112.52 2.02 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.149 1.899 . . . . 0.0 112.283 -176.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.623 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 30.6 tpp -134.8 150.56 50.53 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.886 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -135.61 151.42 50.24 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -178.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.509 ' HB3' HD23 ' A' ' 14' ' ' LEU . 39.9 mt -57.12 -35.31 69.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.976 0.353 . . . . 0.0 111.526 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.3 p -59.95 -44.31 94.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.996 0.427 . . . . 0.0 110.704 175.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.623 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 1.9 m -71.43 -35.76 71.07 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.831 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.5 t -60.28 -46.73 94.44 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-O 121.561 0.696 . . . . 0.0 109.271 176.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.589 ' HG3' HD11 ' A' ' 14' ' ' LEU . 20.0 tttt -65.41 -40.45 93.4 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.993 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -56.2 -53.78 53.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.975 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -70.39 -28.9 65.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.725 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.481 ' HE1' ' SG ' ' A' ' 10' ' ' CYS . 29.0 ttm -65.5 -40.23 92.8 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 172.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 37.7 mt-10 -66.66 -29.08 69.0 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.906 0.384 . . . . 0.0 111.109 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.12 -3.43 54.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.595 0.712 . . . . 0.0 109.642 175.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.551 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 16.3 mmt85 58.94 35.22 24.03 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 114.498 -1.228 . . . . 0.0 111.767 176.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.4 -16.97 62.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.879 173.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.539 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -87.47 143.37 27.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.191 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.452 ' HB2' ' OE1' ' A' ' 70' ' ' GLU . 30.0 mmt180 -110.35 -26.83 9.36 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.46 177.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -142.81 162.5 35.3 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.007 0.432 . . . . 0.0 109.844 -176.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.461 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -71.0 -15.73 62.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.185 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -71.14 -36.48 72.1 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.493 176.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.452 ' OE1' ' HB2' ' A' ' 66' ' ' ARG . 42.5 mt-10 -66.94 -33.23 75.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.835 175.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.577 ' O ' HG11 ' A' ' 75' ' ' VAL . 9.9 t80 -65.39 -54.18 32.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.839 171.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.15 -38.76 65.85 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.473 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.57 -50.34 68.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.7 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.93 -48.02 33.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.041 -174.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.577 HG11 ' O ' ' A' ' 71' ' ' PHE . 2.8 p -65.94 -42.65 92.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -176.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -76.99 -23.01 52.27 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.271 -176.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.34 -43.06 96.81 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.079 0.466 . . . . 0.0 109.797 171.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.41 ' SD ' ' HB3' ' A' ' 29' ' ' PHE . 10.4 tmm? -58.74 -48.3 81.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.157 177.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -60.12 -38.38 82.84 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.915 0.388 . . . . 0.0 110.469 175.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.9 m -60.73 -43.0 98.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.603 ' HB3' HD12 ' A' ' 47' ' ' ILE . 80.2 m-20 -60.27 -33.95 73.04 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.986 0.422 . . . . 0.0 110.716 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 58.5 m -63.95 -43.7 95.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.7 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -74.81 -24.24 58.61 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.127 0.489 . . . . 0.0 109.928 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -34.14 66.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.854 -177.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.57 ' HB2' HD13 ' A' ' 47' ' ' ILE . 81.5 t80 -93.06 -59.91 1.93 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.446 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -83.38 136.63 42.79 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.551 -172.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -66.18 154.39 74.32 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.367 2.045 . . . . 0.0 111.063 177.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.25 -19.47 9.36 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 124.138 3.225 . . . . 0.0 114.129 -172.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -108.03 78.96 1.22 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.823 0.344 . . . . 0.0 110.404 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.525 ' O ' HG21 ' A' ' 93' ' ' VAL . 9.0 t-80 -156.64 162.47 39.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.213 174.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.74 -48.58 80.68 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -29.92 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.724 -172.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.525 HG21 ' O ' ' A' ' 90' ' ' HIS . 13.9 m -78.19 -35.91 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.304 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.59 84.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.108 0.48 . . . . 0.0 110.158 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 51.9 mtm -68.93 -37.39 78.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.475 177.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.97 -28.8 66.95 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 120.999 0.428 . . . . 0.0 110.341 177.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 66.3 ttt180 -75.73 -43.44 46.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.895 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -70.63 -44.15 67.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.548 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.482 HD13 ' CB ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -64.45 -28.63 69.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.216 172.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.446 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 6.7 tp-100 -59.08 -48.3 82.09 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 173.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -54.59 -48.57 71.97 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.075 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.619 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 2.0 p -66.11 -55.92 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.134 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.478 ' H ' HG12 ' A' ' 102' ' ' VAL . 3.0 t80 -54.73 -38.93 67.73 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 120.581 0.229 . . . . 0.0 111.277 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -68.37 -42.35 79.27 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -176.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -68.94 -35.85 77.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.161 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 23.2 mmt180 -65.5 -44.38 87.23 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.452 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -70.6 -32.42 69.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.048 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.84 -34.69 78.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.874 177.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.7 tptp -77.22 -26.67 52.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.247 0.546 . . . . 0.0 109.943 176.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.408 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 2.0 tmt? -71.63 121.17 83.67 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.701 178.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -90.19 149.79 4.61 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.415 2.077 . . . . 0.0 112.276 174.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.552 -0.737 . . . . 0.0 109.804 178.883 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 19.5 t60 . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -148.94 79.0 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.208 0.527 . . . . 0.0 110.7 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 75.1 mt -135.37 73.45 1.47 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.714 176.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 284' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' B' ' 285' ' ' ARG . 10.6 tp -94.99 -11.07 29.12 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.789 -179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 285' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' B' ' 284' ' ' LEU . 7.2 mpt_? 72.82 157.29 0.18 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.864 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 36.5 pt -121.57 13.51 6.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.237 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 287' ' ' ALY . . . . . 0.535 ' HCA' HD12 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -81.92 53.65 2.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.26 0.552 . . . . 0.0 111.727 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -93.91 55.67 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 171.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 46.8 mt -84.16 65.83 8.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.275 -171.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 291' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' B' ' 291' ' ' GLN . 9.7 pt20 -105.85 93.68 4.77 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.64 0.733 . . . . 0.0 110.219 176.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.53 -0.748 . . . . 0.0 109.318 179.182 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.813 0 CA-C-O 120.069 -0.295 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 66.73 166.99 0.22 Allowed 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.258 0.623 . . . . 0.0 111.949 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.6 mt -113.89 109.77 19.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.365 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.9 t -71.14 171.97 10.03 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 174.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.62 -44.73 69.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.015 0.436 . . . . 0.0 110.797 -177.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -61.26 -43.23 99.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.537 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.6 mt -73.53 -31.96 63.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.222 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -67.81 -36.23 80.02 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -64.63 -33.42 75.9 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.504 ' SG ' ' HA ' ' A' ' 68' ' ' ALA . 70.3 m -65.01 -43.54 92.14 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.638 177.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.534 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 14.7 t30 -55.1 -41.71 71.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.198 177.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.71 -35.54 66.78 Favored Glycine 0 CA--C 1.517 0.205 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.082 -178.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 98.0 mt -72.26 -51.02 32.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.794 0.331 . . . . 0.0 110.738 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.555 HD11 ' HG3' ' A' ' 57' ' ' LYS . 1.5 tt -55.08 -48.77 73.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.372 178.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 8.9 tmtt? -44.82 -57.5 3.7 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 122.712 1.244 . . . . 0.0 110.896 175.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -56.51 -48.84 76.36 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 112.411 -2.177 . . . . 0.0 111.929 -176.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.61 -22.77 66.64 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.984 0.421 . . . . 0.0 109.915 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 18' ' ' LEU . 61.5 mt -90.51 -11.38 40.36 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.242 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.7 m -81.55 155.22 25.84 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.401 0.62 . . . . 0.0 111.676 -176.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 67.6 mmtt -58.29 -20.26 41.36 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 114.751 -1.113 . . . . 0.0 113.048 -172.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -57.11 -39.56 75.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.289 0.566 . . . . 0.0 110.737 175.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.407 ' HB3' HD22 ' A' ' 99' ' ' LEU . 97.3 m-70 -107.69 -14.32 14.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.643 -176.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.445 ' HB1' ' HA ' ' A' ' 20' ' ' LYS . . . -48.35 -36.42 14.4 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -175.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.93 -24.17 36.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.042 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -138.4 17.9 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.056 0.455 . . . . 0.0 110.699 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' CB ' HD13 ' A' ' 99' ' ' LEU . . . -115.26 -11.11 12.0 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.079 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.587 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 67.2 p-90 -56.29 -35.09 31.06 Favored Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -177.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 2.8 Cg_endo -56.31 -20.52 32.57 Favored 'Trans proline' 0 C--N 1.366 1.498 0 C-N-CA 121.583 1.522 . . . . 0.0 113.196 176.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.443 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 1.9 m-85 -112.66 -8.61 13.79 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -171.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.403 ' CE1' ' HA ' ' A' ' 18' ' ' LEU . 9.6 m-30 -59.06 -53.85 53.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.96 0.41 . . . . 0.0 110.046 175.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -132.58 154.39 81.49 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.714 179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.416 ' HD3' ' OD1' ' A' ' 52' ' ' ASP . 18.2 Cg_endo -59.28 156.72 33.84 Favored 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 122.869 2.379 . . . . 0.0 112.23 -178.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.545 HG23 ' CE1' ' A' ' 43' ' ' TYR . 1.0 OUTLIER -67.82 149.63 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.267 -177.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -89.76 71.04 7.72 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.33 -39.04 60.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.637 -170.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.8 m -65.68 -44.47 86.14 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.631 0.253 . . . . 0.0 111.044 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.43 -25.36 60.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.376 0.607 . . . . 0.0 110.711 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.1 mt -81.21 -7.02 59.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.055 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.12 8.36 87.43 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.359 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.53 HD12 ' HCA' ' B' ' 287' ' ' ALY . 14.3 mt -84.2 107.19 16.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.997 0.427 . . . . 0.0 110.75 -177.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -86.01 -15.65 40.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.977 -176.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.546 ' O ' HD11 ' A' ' 46' ' ' ILE . 11.1 m-20 -124.79 35.45 4.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.632 -169.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.545 ' CE1' HG23 ' A' ' 33' ' ' VAL . 93.7 t80 -74.25 -45.94 44.7 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.672 -175.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -74.39 -20.54 60.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.751 0.31 . . . . 0.0 111.19 -176.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -75.72 -36.17 60.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.884 0.373 . . . . 0.0 110.883 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.546 HD11 ' O ' ' A' ' 42' ' ' ASP . 1.9 mp -84.75 -40.61 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.506 178.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.595 HD13 ' HB2' ' A' ' 85' ' ' TYR . 16.6 mm -95.56 101.89 12.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.914 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -82.53 -29.2 30.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.147 0.499 . . . . 0.0 110.737 177.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -119.58 70.98 13.36 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.24 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.65 99.92 1.28 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.718 2.279 . . . . 0.0 112.365 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.522 ' HG2' ' OD1' ' A' ' 74' ' ' ASP . 31.6 tpp -122.55 151.18 41.65 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.71 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.497 ' CG ' ' HG1' ' A' ' 55' ' ' THR . 4.1 p30 -138.53 155.2 48.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' HG ' ' HE2' ' A' ' 78' ' ' MET . 37.3 mt -62.09 -28.28 69.51 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.362 -174.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.7 t -67.77 -41.59 83.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.778 0.323 . . . . 0.0 110.529 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.497 ' HG1' ' CG ' ' A' ' 52' ' ' ASP . 16.9 m -74.32 -33.56 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.014 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 52' ' ' ASP . 94.8 t -58.87 -45.38 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.701 . . . . 0.0 109.317 175.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.555 ' HG3' HD11 ' A' ' 14' ' ' LEU . 19.6 tttt -66.75 -40.83 88.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.114 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -55.64 -50.95 68.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.934 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -71.04 -26.98 63.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.72 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 12.7 ttm -69.34 -35.96 76.42 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 173.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 46.5 mt-10 -66.24 -32.28 73.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.96 -1.49 39.74 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 57.97 33.08 22.8 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 114.242 -1.345 . . . . 0.0 111.53 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -24.6 67.89 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.16 177.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.565 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -80.97 136.01 35.95 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.79 -174.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -100.82 -28.56 12.73 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.662 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -144.79 159.8 42.29 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -173.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.504 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . . . -69.42 -15.89 63.38 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.653 -179.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -72.22 -35.07 68.78 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -68.37 -34.28 75.79 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.671 177.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.602 ' O ' HG11 ' A' ' 75' ' ' VAL . 9.1 t80 -64.56 -54.64 28.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.546 172.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.501 ' O ' ' HG2' ' A' ' 76' ' ' ARG . . . -53.9 -41.46 67.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.407 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.44 -44.6 76.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.303 177.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.522 ' OD1' ' HG2' ' A' ' 51' ' ' MET . 5.5 t0 -75.73 -47.69 25.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.991 0.424 . . . . 0.0 111.004 -175.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.602 HG11 ' O ' ' A' ' 71' ' ' PHE . 2.5 p -63.92 -41.56 92.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.28 -178.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 2.9 ptp180 -69.58 -29.46 67.02 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.217 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.78 -36.93 82.51 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.265 0.555 . . . . 0.0 110.594 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.575 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 12.3 tmm? -61.23 -52.89 62.85 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.744 174.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -59.08 -37.28 76.72 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.102 0.477 . . . . 0.0 110.599 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.0 m -61.42 -49.22 77.74 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.958 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.575 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 10.3 p30 -66.91 -27.19 67.29 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.985 -175.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.438 ' SG ' ' HB ' ' A' ' 92' ' ' VAL . 20.0 t -65.21 -46.22 81.57 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.644 176.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -66.0 -24.6 66.81 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.35 0.595 . . . . 0.0 110.176 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.431 ' HE2' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -74.24 -42.2 60.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.588 -175.6 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.595 ' HB2' HD13 ' A' ' 47' ' ' ILE . 76.7 t80 -82.48 -53.86 5.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.148 0.499 . . . . 0.0 110.993 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -86.69 132.2 43.16 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.539 -172.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -68.72 158.26 58.52 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.611 2.207 . . . . 0.0 111.272 175.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -50.02 -21.4 6.32 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 124.536 3.49 . . . . 0.0 114.403 -173.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -108.57 74.09 0.9 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.161 0.505 . . . . 0.0 110.632 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.624 ' O ' HG21 ' A' ' 93' ' ' VAL . 2.3 t-80 -154.82 149.85 26.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.735 175.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.509 ' HB3' ' HE2' ' A' ' 95' ' ' MET . 3.6 m-20 -52.08 -45.23 64.71 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -175.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.438 ' HB ' ' SG ' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -65.63 -28.22 43.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -171.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.624 HG21 ' O ' ' A' ' 90' ' ' HIS . 12.5 m -78.56 -34.41 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.11 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.82 -40.46 79.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.065 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.509 ' HE2' ' HB3' ' A' ' 91' ' ' ASP . 57.3 mtm -68.8 -38.78 80.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.272 176.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.03 79.29 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 120.866 0.365 . . . . 0.0 110.431 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -71.23 -42.52 68.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.047 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -69.77 -43.86 71.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.518 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.436 ' HA ' HG13 ' A' ' 102' ' ' VAL . 0.3 OUTLIER -64.27 -29.95 71.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.401 172.454 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.636 ' O ' ' HB2' ' A' ' 104' ' ' GLU . 52.8 tp60 -62.11 -38.25 88.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 174.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.88 -48.19 80.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.602 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.525 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.5 p -63.28 -55.16 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.832 178.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.478 ' H ' HG12 ' A' ' 102' ' ' VAL . 6.4 t80 -55.66 -37.58 68.46 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.347 178.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.636 ' HB2' ' O ' ' A' ' 100' ' ' GLN . 0.7 OUTLIER -57.61 -52.75 64.13 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.883 0.373 . . . . 0.0 110.977 177.177 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -70.08 -34.09 72.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.666 -174.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.525 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 34.8 mmt180 -64.36 -46.99 81.03 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 121.177 0.513 . . . . 0.0 110.233 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -69.49 -28.19 65.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.15 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.52 -43.09 81.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.432 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -69.72 -28.66 66.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.262 0.553 . . . . 0.0 109.746 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.477 ' HE1' ' CB ' ' A' ' 68' ' ' ALA . 2.0 tmt? -64.86 117.79 42.25 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.266 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -91.34 157.12 3.72 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.89 2.393 . . . . 0.0 112.387 174.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.281 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 36.4 m80 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -158.75 116.03 2.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.594 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -77.96 -31.51 50.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.544 -175.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 284' ' ' LEU . . . . . 0.469 ' HG ' ' HG2' ' B' ' 285' ' ' ARG . 30.3 tp -155.9 -88.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.294 -178.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 285' ' ' ARG . . . . . 0.469 ' HG2' ' HG ' ' B' ' 284' ' ' LEU . 0.0 OUTLIER -148.4 141.57 25.03 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.344 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 30.0 pt -126.91 19.2 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -171.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 287' ' ' ALY . . . . . 0.53 ' HCA' HD12 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 288' ' ' GLN . . . . . 0.541 ' O ' ' HB2' ' B' ' 292' ' ' SER . 30.3 tt0 -94.62 19.88 9.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.284 0.564 . . . . 0.0 110.495 -177.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -76.69 63.39 2.13 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.665 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 65.1 tp -143.14 -53.03 0.38 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -141.76 72.3 1.38 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.953 -1.022 . . . . 0.0 109.064 174.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 292' ' ' SER . . . . . 0.541 ' HB2' ' O ' ' B' ' 288' ' ' GLN . 4.1 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.242 -0.885 . . . . 0.0 109.306 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.802 0 N-CA-C 111.773 -0.531 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -126.91 163.72 23.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.85 0.357 . . . . 0.0 110.719 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.3 mt -107.32 119.06 38.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.029 174.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.5 t -79.46 177.49 8.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -58.06 -43.7 87.07 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.032 0.444 . . . . 0.0 110.952 -177.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -62.59 -42.41 99.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.339 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.52 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 88.5 mt -74.94 -26.37 59.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.196 -177.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -71.2 -34.67 71.09 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -70.86 -35.33 72.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.963 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.562 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 14.2 p -69.87 -29.7 66.99 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -64.45 -42.5 95.93 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.727 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.1 -41.96 68.91 Favored Glycine 0 C--N 1.329 0.188 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.723 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.414 HG12 ' HB3' ' A' ' 106' ' ' ARG . 96.8 mt -60.7 -50.73 79.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.91 0.386 . . . . 0.0 110.568 178.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.546 HD11 ' HG3' ' A' ' 57' ' ' LYS . 1.3 tt -55.79 -47.0 77.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.385 177.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -55.07 -36.39 65.57 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.323 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' CD ' ' HE ' ' A' ' 106' ' ' ARG . 31.7 tt0 -76.5 -42.09 44.69 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.834 -176.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -62.96 -24.06 67.71 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 18' ' ' LEU . 70.1 mt -89.58 -13.28 37.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.93 177.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.1 m -70.29 150.51 46.29 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.412 0.625 . . . . 0.0 111.351 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 27.1 mmtm -64.79 -10.2 26.12 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.104 -175.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -64.11 -37.85 88.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.081 0.467 . . . . 0.0 110.692 174.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -105.05 -14.01 15.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.519 -176.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.498 ' HB1' ' HA ' ' A' ' 20' ' ' LYS . . . -46.27 -37.33 7.14 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -176.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.69 -28.72 23.02 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 123.484 0.49 . . . . 0.0 111.943 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -136.58 20.97 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.986 0.422 . . . . 0.0 110.641 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.436 ' C ' ' HD2' ' A' ' 28' ' ' PRO . . . -117.79 -12.98 10.15 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.434 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.597 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.6 p-90 -56.24 -33.98 22.18 Favored Pre-proline 0 CA--C 1.547 0.843 0 N-CA-C 113.61 0.966 . . . . 0.0 113.61 -177.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.2 Cg_endo -54.87 -20.2 21.83 Favored 'Trans proline' 0 C--N 1.37 1.674 0 C-N-CA 121.556 1.504 . . . . 0.0 113.166 176.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -113.46 -8.84 13.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -172.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -55.6 -55.41 32.37 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-O 120.682 0.277 . . . . 0.0 111.314 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -135.79 159.81 69.87 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.423 -176.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -49.64 143.93 20.83 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.363 2.709 . . . . 0.0 112.704 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.422 HG23 ' CE1' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -65.77 147.44 12.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.592 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -88.73 63.62 6.97 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.52 -35.99 32.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.876 -171.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.6 t -63.09 -52.1 64.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.68 0.276 . . . . 0.0 110.743 177.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.98 -18.98 61.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.246 0.546 . . . . 0.0 110.972 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.9 mt -85.46 -10.9 55.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.612 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.86 5.64 87.71 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.173 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.48 HD12 ' HCA' ' B' ' 287' ' ' ALY . 9.1 mt -86.78 92.71 9.05 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 122.633 0.373 . . . . 0.0 110.123 -177.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -85.0 -4.26 59.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.899 0.38 . . . . 0.0 111.176 -175.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -123.07 25.42 8.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.173 -174.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.447 ' CE1' HG13 ' A' ' 47' ' ' ILE . 82.9 t80 -66.96 -41.26 87.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.646 -174.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -81.97 0.55 39.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.026 0.441 . . . . 0.0 111.119 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -91.39 -37.61 13.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.096 0.474 . . . . 0.0 110.357 175.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -85.34 -49.38 15.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.301 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.552 HD13 ' HB2' ' A' ' 85' ' ' TYR . 21.2 mm -79.33 109.93 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.159 -178.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -89.36 -29.31 19.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.021 -178.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -121.94 69.33 27.11 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.88 104.91 1.06 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.218 1.945 . . . . 0.0 111.953 177.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.65 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 31.4 tpp -131.27 147.35 52.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.503 -178.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -133.8 153.27 51.84 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.512 ' HG ' ' HE2' ' A' ' 78' ' ' MET . 32.6 mt -58.35 -36.6 73.7 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.223 0.465 . . . . 0.0 111.423 -178.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.7 p -60.87 -38.84 86.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.64 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.65 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 1.6 m -74.66 -36.24 62.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.665 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.09 -45.8 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.393 0.616 . . . . 0.0 109.353 176.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.546 ' HG3' HD11 ' A' ' 14' ' ' LEU . 19.5 tttt -66.17 -41.35 90.44 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.067 178.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -55.34 -50.83 68.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.728 177.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -70.94 -28.84 64.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.698 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.44 ' HE1' ' SG ' ' A' ' 10' ' ' CYS . 29.2 ttm -67.9 -38.43 82.97 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 173.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.5 -31.33 72.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.975 0.416 . . . . 0.0 110.678 177.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.406 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -80.76 -6.05 57.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.58 0.705 . . . . 0.0 109.676 177.468 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 59.62 38.34 22.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.2 -1.364 . . . . 0.0 111.482 176.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.74 -21.95 63.41 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.571 173.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.554 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -84.12 141.97 30.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.906 -175.088 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.415 ' HB2' ' OE2' ' A' ' 70' ' ' GLU . 12.8 mtm180 -107.57 -25.53 11.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.11 177.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -147.73 165.22 31.16 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.424 ' HB1' ' HE1' ' A' ' 110' ' ' MET . . . -71.9 -17.62 62.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.628 -177.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -71.89 -31.37 66.35 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.415 ' OE2' ' HB2' ' A' ' 66' ' ' ARG . 70.7 mt-10 -71.73 -33.65 68.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.794 175.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.613 ' O ' HG11 ' A' ' 75' ' ' VAL . 4.6 t80 -64.34 -53.99 39.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.455 171.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.47 -42.28 67.05 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.397 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.07 -44.2 78.7 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.398 177.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -75.66 -46.93 28.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.938 -175.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.613 HG11 ' O ' ' A' ' 71' ' ' PHE . 2.6 p -67.22 -38.92 81.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.15 -179.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -68.06 -31.4 71.02 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.48 -30.9 71.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.409 177.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.65 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 12.4 tmm? -63.11 -51.28 67.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.523 174.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -58.85 -36.71 75.02 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.33 0.586 . . . . 0.0 110.475 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m -65.66 -46.62 78.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.146 -177.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.65 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 12.0 p30 -65.81 -28.38 68.96 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.717 -177.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.402 ' SG ' ' HB ' ' A' ' 92' ' ' VAL . 17.3 t -62.48 -47.83 82.29 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.254 176.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -66.31 -24.05 66.47 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.25 0.548 . . . . 0.0 110.445 177.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -75.18 -29.55 60.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.706 -175.79 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.552 ' HB2' HD13 ' A' ' 47' ' ' ILE . 77.3 t80 -96.95 -57.91 2.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.759 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -80.49 133.83 55.65 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.633 -174.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.84 153.38 78.37 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.222 1.948 . . . . 0.0 110.697 173.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.87 -20.19 21.74 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.863 3.042 . . . . 0.0 113.502 -173.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -96.93 70.57 2.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.032 174.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.569 ' O ' HG21 ' A' ' 93' ' ' VAL . 8.9 t-80 -157.07 156.22 32.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.143 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.497 ' HB3' ' HE2' ' A' ' 95' ' ' MET . 1.0 OUTLIER -61.35 -45.08 95.88 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -177.706 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.503 HG21 ' HD1' ' A' ' 90' ' ' HIS . 0.1 OUTLIER -65.5 -27.81 42.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -170.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.569 HG21 ' O ' ' A' ' 90' ' ' HIS . 14.1 m -77.03 -35.68 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.029 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.37 -41.02 77.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.422 177.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.497 ' HE2' ' HB3' ' A' ' 91' ' ' ASP . 66.4 mtm -69.08 -36.98 78.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.308 178.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.65 -34.7 78.46 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.124 0.488 . . . . 0.0 110.024 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -68.89 -44.93 72.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.104 -177.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -71.05 -43.09 68.52 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.727 -177.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.423 ' HA ' HG13 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -63.96 -29.35 70.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.08 172.713 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -64.11 -35.28 80.25 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -60.88 -58.03 10.15 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.006 177.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.669 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.9 p -57.06 -54.18 33.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.327 -177.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.471 ' H ' HG12 ' A' ' 102' ' ' VAL . 2.6 t80 -54.4 -39.35 67.19 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.701 0.286 . . . . 0.0 111.424 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -73.94 -40.57 62.97 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 120.57 0.224 . . . . 0.0 110.45 -175.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.478 ' O ' ' HE2' ' A' ' 109' ' ' LYS . 29.9 m-85 -65.51 -33.24 75.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.734 175.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.669 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 36.1 mmt180 -66.39 -45.5 79.79 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.516 178.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -69.48 -32.1 70.79 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.717 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.45 -35.15 79.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.112 177.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.478 ' HE2' ' O ' ' A' ' 105' ' ' PHE . 0.2 OUTLIER -80.29 -24.87 39.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.239 0.543 . . . . 0.0 110.131 177.431 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.424 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 1.9 tmt? -72.61 124.74 91.15 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.487 177.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -86.34 145.11 8.22 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 121.804 1.669 . . . . 0.0 112.433 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 . . . . . 0 C--O 1.244 0.805 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.994 -179.181 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 36.5 m80 . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 120.636 0.255 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -149.31 134.87 18.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.222 0.534 . . . . 0.0 110.738 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 8.8 mp -99.21 91.67 5.09 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 23.9 tp -78.47 61.37 2.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.828 -175.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 22.0 mtm-85 58.49 69.51 0.72 Allowed 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.267 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 24.6 pt -54.98 123.27 5.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.351 0.596 . . . . 0.0 111.132 -176.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 287' ' ' ALY . . . . . 0.48 ' HCA' HD12 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -79.0 61.41 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.439 0.638 . . . . 0.0 111.973 -176.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -100.76 22.25 12.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.552 173.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 43.9 tp -126.71 64.61 1.28 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.121 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -104.5 -2.82 24.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.376 -177.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.248 1.0 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.099 178.434 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.455 ' O ' ' HD2' ' A' ' 63' ' ' ARG . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 112.106 -0.398 . . . . 0.0 112.106 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -64.13 127.66 32.42 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 122.278 0.231 . . . . 0.0 110.865 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.453 ' HG ' ' CZ ' ' A' ' 63' ' ' ARG . 80.2 mt -65.82 105.06 1.19 Allowed 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 176.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.3 m -71.28 174.08 6.92 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.385 177.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -51.83 -41.01 61.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.621 0.248 . . . . 0.0 111.664 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.78 -45.39 89.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.492 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.578 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 82.7 mt -75.99 -27.84 57.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.236 0.541 . . . . 0.0 111.336 -176.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -71.88 -33.4 68.33 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 173.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -71.16 -38.0 72.22 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.915 176.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.578 ' SG ' ' HA ' ' A' ' 7' ' ' LEU . 14.2 p -68.74 -30.68 69.36 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.897 0.379 . . . . 0.0 110.023 178.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -62.22 -43.71 98.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.974 175.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.24 -40.5 61.0 Favored Glycine 0 C--N 1.331 0.281 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.782 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.95 -49.35 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.753 0.311 . . . . 0.0 110.565 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.541 HD11 ' HG3' ' A' ' 57' ' ' LYS . 1.2 tt -55.52 -49.01 73.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.654 176.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -55.38 -36.09 66.01 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.006 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -73.47 -44.83 57.11 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.602 -177.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 mt -63.75 -22.43 66.91 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' A' ' 18' ' ' LEU . 71.8 mt -91.64 -11.53 36.8 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.956 177.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.1 m -71.54 149.8 45.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.424 0.631 . . . . 0.0 111.431 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 21.4 tptm -55.39 -26.55 42.22 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.683 -178.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -53.49 -37.82 63.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.28 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.407 ' CE1' HG22 ' A' ' 102' ' ' VAL . 92.9 m-70 -108.53 -12.83 14.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.53 -177.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.457 ' HB1' ' HA ' ' A' ' 20' ' ' LYS . . . -49.39 -35.33 18.63 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -175.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.6 -28.7 33.8 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.612 0.57 . . . . 0.0 111.96 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -137.11 17.66 2.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.949 0.404 . . . . 0.0 110.969 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.467 ' CB ' HD13 ' A' ' 99' ' ' LEU . . . -113.6 -13.11 12.77 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.083 177.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.594 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.1 p-90 -55.92 -34.92 29.05 Favored Pre-proline 0 CA--C 1.545 0.785 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -176.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.6 Cg_endo -52.35 -24.85 22.48 Favored 'Trans proline' 0 C--N 1.368 1.561 0 C-N-CA 121.726 1.617 . . . . 0.0 113.163 177.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -111.03 -8.99 14.41 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -170.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -52.72 -53.06 52.97 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.831 0.348 . . . . 0.0 111.554 177.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -136.54 160.79 65.29 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.809 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -53.85 134.16 57.81 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.741 2.294 . . . . 0.0 111.685 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.418 HG12 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -61.18 145.05 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -178.795 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -86.39 68.44 10.22 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 40' ' ' LEU . . . -49.9 -41.07 45.11 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.808 0.693 . . . . 0.0 111.802 -172.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.8 m -63.29 -41.9 99.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.63 0.252 . . . . 0.0 111.496 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.96 -9.8 59.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.383 0.611 . . . . 0.0 110.789 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 mt -99.09 -7.86 26.1 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.8 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.82 4.47 87.23 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.434 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.51 HD12 ' HCA' ' B' ' 287' ' ' ALY . 7.7 mt -87.85 94.85 9.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.018 0.437 . . . . 0.0 110.327 -176.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -85.94 -2.88 58.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.145 0.497 . . . . 0.0 110.539 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -125.37 21.58 7.89 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -172.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -64.06 -42.33 97.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.23 -0.294 . . . . 0.0 111.382 -176.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -81.76 -7.24 59.58 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.663 -176.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -82.8 -33.8 27.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.156 0.503 . . . . 0.0 110.076 176.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.34 -48.24 14.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.927 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.588 HD12 ' HB3' ' A' ' 81' ' ' ASN . 9.9 mm -83.29 97.7 4.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.946 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 62.4 mmtt -83.65 -25.66 30.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.333 -176.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -120.91 59.55 7.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.599 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.24 116.46 3.89 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.559 2.173 . . . . 0.0 112.366 -176.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.569 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 29.8 tpp -134.0 149.76 51.22 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.298 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.66 146.97 52.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -177.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.0 mt -57.03 -34.05 67.81 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.327 0.512 . . . . 0.0 111.399 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.3 p -61.41 -43.09 99.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.835 175.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.569 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 4.4 m -72.35 -34.36 67.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.808 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.6 t -60.41 -46.81 94.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 121.43 0.633 . . . . 0.0 109.319 175.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.541 ' HG3' HD11 ' A' ' 14' ' ' LEU . 19.3 tttt -64.13 -40.77 96.88 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.718 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -56.78 -51.7 67.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.198 178.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -71.61 -29.29 64.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.484 -177.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.459 ' HE1' ' SG ' ' A' ' 10' ' ' CYS . 28.4 ttm -65.66 -39.42 91.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.143 172.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -67.67 -28.81 68.01 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.159 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.1 -3.1 47.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.495 0.664 . . . . 0.0 109.627 175.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.455 ' HD2' ' O ' ' A' ' 1' ' ' GLY . 20.5 mmt85 57.78 37.77 27.19 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.261 -1.336 . . . . 0.0 110.964 177.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.08 -16.11 61.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.555 174.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.54 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.8 OUTLIER -90.9 136.62 32.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.479 -175.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.631 ' HB3' ' OE1' ' A' ' 70' ' ' GLU . 61.4 ttt-85 -96.07 -32.07 12.72 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.304 176.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -145.75 166.86 24.65 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.184 0.516 . . . . 0.0 110.443 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.414 ' HB1' ' HE1' ' A' ' 110' ' ' MET . . . -71.1 -16.32 62.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.609 -177.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -72.87 -28.98 62.82 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.631 ' OE1' ' HB3' ' A' ' 66' ' ' ARG . 50.1 mt-10 -72.52 -32.83 66.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.606 174.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.592 ' O ' HG11 ' A' ' 75' ' ' VAL . 5.1 t80 -66.27 -52.28 49.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.655 170.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.38 -35.8 68.13 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.587 178.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.48 -50.89 68.71 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.602 175.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.15 -52.89 19.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.875 -176.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.592 HG11 ' O ' ' A' ' 71' ' ' PHE . 3.6 p -64.33 -40.92 90.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.776 -174.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -72.68 -28.57 62.78 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.241 -178.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.98 -39.77 95.72 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.097 174.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.7 tmm? -60.31 -47.72 84.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -60.92 -38.65 86.51 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.947 0.404 . . . . 0.0 110.675 175.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 t -60.04 -42.48 94.54 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.255 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.588 ' HB3' HD12 ' A' ' 47' ' ' ILE . 86.4 m-20 -59.01 -40.52 85.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.985 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 50.9 m -60.2 -41.14 92.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.776 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -71.99 -24.62 61.6 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.146 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -67.95 -49.61 60.78 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.195 0.522 . . . . 0.0 110.67 177.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.546 ' HB2' HD13 ' A' ' 47' ' ' ILE . 71.7 t80 -77.09 -48.88 16.59 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.773 -171.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.441 ' HB3' ' HD1' ' A' ' 90' ' ' HIS . 21.5 m-80 -96.32 141.28 22.89 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.799 -166.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -72.52 154.4 55.22 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.549 2.166 . . . . 0.0 112.16 176.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -47.29 -24.06 3.56 Favored 'Trans proline' 0 C--N 1.356 0.927 1 C-N-CA 125.358 4.039 . . . . 0.0 116.336 -172.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -86.13 -68.33 0.75 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.693 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.718 ' NE2' ' HB ' ' B' ' 286' ' ' ILE . 0.1 OUTLIER -7.04 128.78 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 125.496 1.518 . . . . 0.0 113.954 168.706 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.447 ' HB3' ' HE2' ' A' ' 95' ' ' MET . 3.5 m-20 -55.4 -32.36 62.6 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -171.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -18.15 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.969 -172.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.668 HG21 ' O ' ' A' ' 90' ' ' HIS . 14.7 m -83.07 -33.68 10.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.701 175.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.17 -41.63 70.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.378 178.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.447 ' HE2' ' HB3' ' A' ' 91' ' ' ASP . 59.9 mtm -67.93 -35.52 78.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.23 178.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.18 -35.09 77.48 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.229 0.538 . . . . 0.0 110.132 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 31.1 ttm180 -70.81 -42.53 70.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.008 -178.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 101' ' ' ASP . 58.5 tttp -73.14 -42.65 62.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.522 -178.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.467 HD13 ' CB ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -65.08 -27.66 68.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.3 172.856 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.404 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 7.3 tp-100 -60.3 -45.34 93.71 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.458 ' HB3' ' O ' ' A' ' 98' ' ' LYS . 14.2 t70 -52.82 -52.69 56.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.387 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.6 p -65.53 -56.8 13.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.66 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.492 ' H ' HG12 ' A' ' 102' ' ' VAL . 3.2 t80 -54.02 -41.37 67.95 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -73.68 -31.11 63.27 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 121.155 0.502 . . . . 0.0 109.804 -176.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -74.7 -34.25 62.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.099 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 18.6 mmm180 -69.82 -42.42 73.68 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.615 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -70.4 -24.58 62.95 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.45 -45.26 76.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 0.0 110.986 177.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -71.51 -22.76 61.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.091 0.472 . . . . 0.0 110.611 176.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.414 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 2.0 tmt? -72.5 120.59 81.41 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.932 174.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -85.34 145.93 9.65 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 C-N-CA 121.726 1.617 . . . . 0.0 112.002 176.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.194 -0.908 . . . . 0.0 109.644 179.599 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 9.8 p80 . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.944 0.402 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 67.04 105.52 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.536 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 93.1 mt -80.43 0.78 31.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.867 -176.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 23.9 tp -85.07 143.85 28.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -80.13 156.98 26.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.313 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 286' ' ' ILE . . . . . 0.718 ' HB ' ' NE2' ' A' ' 90' ' ' HIS . 28.3 pt -106.19 131.12 56.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 174.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 287' ' ' ALY . . . . . 0.51 ' HCA' HD12 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -78.76 65.26 3.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.828 0.823 . . . . 0.0 110.572 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -101.45 23.1 11.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.277 174.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 290' ' ' LEU . . . . . 0.411 HD11 ' N ' ' B' ' 290' ' ' LEU . 5.6 mp -98.61 11.79 37.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.108 175.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -63.9 156.65 27.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.435 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 55.2 m . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.986 178.543 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.971 -0.452 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -95.63 133.08 40.09 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.432 ' HG ' ' CZ ' ' A' ' 63' ' ' ARG . 93.6 mt -69.85 98.6 1.26 Allowed 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.346 -0.541 . . . . 0.0 110.2 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.2 m -74.2 -179.96 4.15 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 175.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -51.77 -43.71 63.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.927 0.394 . . . . 0.0 111.259 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -60.96 -48.6 81.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.791 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.733 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 97.9 mt -79.51 -12.51 59.87 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.465 0.65 . . . . 0.0 111.689 -177.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -86.63 -32.65 20.47 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 173.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -72.31 -35.37 68.62 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.95 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.733 ' SG ' ' HA ' ' A' ' 7' ' ' LEU . 21.2 p -67.4 -38.34 84.5 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -58.16 -41.97 84.93 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.012 174.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.1 -41.2 60.86 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.724 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.89 -50.07 81.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.835 0.35 . . . . 0.0 110.457 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.527 HD11 ' HG3' ' A' ' 57' ' ' LYS . 1.2 tt -54.27 -50.11 68.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.817 177.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -56.52 -38.66 72.14 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.911 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -69.32 -45.65 68.98 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.456 -177.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.3 mt -62.99 -22.98 67.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.121 0.486 . . . . 0.0 109.861 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 18' ' ' LEU . 73.6 mt -90.9 -13.03 34.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.873 177.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.8 m -69.45 146.9 51.61 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.186 0.517 . . . . 0.0 111.281 -178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 27.6 mmtp -60.97 -17.3 50.94 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.071 -176.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -57.87 -38.09 75.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.964 0.411 . . . . 0.0 110.788 172.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -105.76 -14.66 15.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.69 -176.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' A' ' 20' ' ' LYS . . . -49.87 -33.94 18.61 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -175.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.89 -27.51 30.8 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 123.428 0.455 . . . . 0.0 111.698 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -136.97 19.05 3.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.936 0.398 . . . . 0.0 110.99 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' HD2' ' A' ' 28' ' ' PRO . . . -115.85 -13.63 11.34 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.317 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.596 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 69.9 p-90 -55.75 -35.83 38.89 Favored Pre-proline 0 CA--C 1.545 0.769 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -177.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 2.5 Cg_endo -55.35 -19.39 21.88 Favored 'Trans proline' 0 C--N 1.367 1.543 0 C-N-CA 121.692 1.594 . . . . 0.0 113.284 177.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.444 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 2.1 m-85 -113.89 -7.53 13.18 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -172.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -56.91 -56.37 22.52 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.976 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -138.3 158.15 71.3 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.019 -175.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -50.57 137.33 40.96 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.556 2.838 . . . . 0.0 112.714 -177.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.452 HG23 ' CE1' ' A' ' 43' ' ' TYR . 1.0 OUTLIER -59.9 148.11 8.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.75 179.731 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -84.49 62.06 7.04 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.46 -44.64 45.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.484 -170.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.6 m -63.15 -39.87 95.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.73 0.3 . . . . 0.0 111.515 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.3 -15.89 55.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.299 0.571 . . . . 0.0 110.892 178.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.7 mt -89.98 -2.73 58.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.744 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.83 6.11 89.63 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.192 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.508 HD12 ' HCA' ' B' ' 287' ' ' ALY . 8.3 mt -89.46 98.62 11.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.891 0.377 . . . . 0.0 110.155 -177.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -86.51 -17.48 34.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.84 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -112.54 27.06 9.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.819 -174.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.452 ' CE1' HG23 ' A' ' 33' ' ' VAL . 84.2 t80 -65.63 -39.98 92.06 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.403 -0.186 . . . . 0.0 111.217 -177.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -82.36 -3.51 55.61 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.931 0.396 . . . . 0.0 111.245 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.6 -40.1 16.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.258 0.551 . . . . 0.0 109.94 175.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.2 -48.47 16.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.913 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.509 HD13 ' HB2' ' A' ' 85' ' ' TYR . 16.8 mm -84.63 100.62 8.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.199 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 26.0 mmtp -88.06 -28.66 21.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -119.76 69.59 12.87 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.91 177.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.7 113.98 3.7 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.371 2.047 . . . . 0.0 111.9 176.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.573 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 29.8 tpp -132.64 147.16 52.33 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.15 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.74 149.03 52.33 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -175.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' HG ' ' HE2' ' A' ' 78' ' ' MET . 40.2 mt -59.14 -35.38 73.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 118.169 0.44 . . . . 0.0 111.761 -178.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.5 t -65.6 -30.71 71.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.742 0.306 . . . . 0.0 110.532 177.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.573 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 2.0 m -80.16 -36.45 35.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.994 0.425 . . . . 0.0 110.193 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.7 t -61.2 -45.47 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.503 0.668 . . . . 0.0 109.23 175.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.527 ' HG3' HD11 ' A' ' 14' ' ' LEU . 27.7 tttt -65.22 -42.26 93.62 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.217 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -54.25 -51.48 64.41 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.627 -1.169 . . . . 0.0 110.521 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -72.33 -25.18 61.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.239 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.507 ' HE3' ' HB2' ' A' ' 71' ' ' PHE . 15.5 tpp -73.31 -35.6 66.12 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 174.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.34 -30.6 71.71 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.239 176.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.406 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -84.7 -1.37 56.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.166 176.799 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.432 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 24.3 mmt85 57.42 35.61 26.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.411 176.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.63 -19.24 64.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.914 176.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.566 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.2 OUTLIER -89.46 140.73 29.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.749 -175.432 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.433 ' HD3' ' O ' ' A' ' 66' ' ' ARG . 4.2 tmt_? -98.24 -31.14 12.23 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.52 165.98 32.56 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -177.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.97 -17.0 63.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.302 -174.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -70.72 -34.61 72.09 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -69.29 -32.74 72.09 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.61 175.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.568 ' O ' HG11 ' A' ' 75' ' ' VAL . 10.1 t80 -64.2 -54.83 27.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.57 172.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.13 -44.55 64.56 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.162 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.57 -44.09 69.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.364 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -75.31 -48.71 21.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.568 HG11 ' O ' ' A' ' 71' ' ' PHE . 2.6 p -66.96 -39.67 83.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.456 -177.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -73.0 -25.02 60.83 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.45 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.15 -34.7 79.02 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 173.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.659 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 12.4 tmm? -62.6 -51.29 67.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.705 176.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -59.12 -36.66 75.57 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.242 0.544 . . . . 0.0 110.529 175.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.7 m -63.82 -47.22 81.69 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.013 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.659 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 14.8 p30 -66.18 -29.88 70.24 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.797 -177.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 13.4 t -60.68 -45.6 93.54 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.386 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -67.28 -24.53 65.79 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.35 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -66.85 -45.52 77.93 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.16 0.505 . . . . 0.0 110.453 177.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.509 ' HB2' HD13 ' A' ' 47' ' ' ILE . 55.6 t80 -81.67 -59.89 2.45 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.266 -172.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -83.92 129.65 58.17 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.234 -172.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -64.26 159.21 44.54 Favored 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 122.674 2.249 . . . . 0.0 111.83 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -48.68 -26.33 9.24 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 124.519 3.479 . . . . 0.0 114.913 -169.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -112.2 88.99 2.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.122 0.486 . . . . 0.0 109.966 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.601 ' O ' HG21 ' A' ' 93' ' ' VAL . 17.9 t-80 -160.3 149.62 17.49 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.482 ' HB3' ' HE2' ' A' ' 95' ' ' MET . 2.4 m-20 -52.32 -43.93 64.83 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -175.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.457 HG21 ' HD1' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -68.25 -26.92 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -172.664 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.601 HG21 ' O ' ' A' ' 90' ' ' HIS . 12.3 m -81.36 -36.22 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.341 -0.543 . . . . 0.0 109.887 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.08 97.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.151 0.501 . . . . 0.0 110.061 176.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.482 ' HE2' ' HB3' ' A' ' 91' ' ' ASP . 53.0 mtm -69.64 -33.96 73.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.22 177.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 100' ' ' GLN . . . -69.77 -31.95 70.18 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 120.596 0.236 . . . . 0.0 110.489 177.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 34.5 mtm180 -74.14 -43.27 58.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.852 0.358 . . . . 0.0 111.125 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -68.96 -47.53 65.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.931 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.434 HD13 ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -62.4 -26.34 68.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.688 0.28 . . . . 0.0 111.169 172.863 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 6.2 tp-100 -63.73 -41.27 98.08 Favored 'General case' 0 C--O 1.221 -0.424 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 173.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.522 ' O ' ' HD1' ' A' ' 105' ' ' PHE . 14.5 t70 -57.22 -49.77 74.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.55 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.9 p -63.14 -58.41 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.213 178.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.466 ' H ' HG12 ' A' ' 102' ' ' VAL . 5.7 t80 -56.34 -42.0 77.03 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 100' ' ' GLN . 12.2 tp10 -67.77 -44.85 76.48 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 120.967 0.413 . . . . 0.0 110.233 -174.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.522 ' HD1' ' O ' ' A' ' 101' ' ' ASP . 59.9 m-85 -74.99 -23.38 58.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.123 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 27.8 mmt180 -67.88 -48.6 65.59 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 174.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.424 ' O ' ' HB3' ' A' ' 110' ' ' MET . 46.2 t80 -67.5 -29.81 69.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.063 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.49 -38.44 80.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.427 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -87.52 -5.79 58.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.237 0.541 . . . . 0.0 110.358 177.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.424 ' HB3' ' O ' ' A' ' 107' ' ' TYR . 1.9 tmt? -73.84 121.57 85.49 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.841 173.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -84.79 152.69 11.47 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.267 1.978 . . . . 0.0 113.059 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 . . . . . 0 C--O 1.246 0.89 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.739 176.907 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 41.8 m80 . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -83.44 69.05 9.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.283 0.563 . . . . 0.0 110.419 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 62.0 tp -77.71 87.91 3.97 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.404 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 284' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' B' ' 285' ' ' ARG . 74.2 mt 59.99 43.44 14.6 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 285' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' B' ' 284' ' ' LEU . 9.4 mpt_? 71.23 151.19 0.1 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.292 -174.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 286' ' ' ILE . . . . . 0.517 HD13 ' H ' ' B' ' 286' ' ' ILE . 0.2 OUTLIER -121.47 8.1 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.627 -174.099 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 287' ' ' ALY . . . . . 0.508 ' HCA' HD12 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -83.27 52.48 2.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.245 0.545 . . . . 0.0 111.214 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -103.77 46.49 0.92 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.074 175.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 62.0 mt -85.55 51.73 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.052 -178.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 70.29 -53.96 0.63 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.81 -175.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 64.2 m . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.625 177.052 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 112.171 -0.372 . . . . 0.0 112.171 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -94.65 37.87 1.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.64 0.257 . . . . 0.0 110.406 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt 65.91 96.73 0.05 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.176 -177.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.4 m -68.38 178.77 1.84 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.406 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -50.18 -49.61 51.83 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 1.4 mp0 -63.59 -44.82 92.93 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.704 -0.226 . . . . 0.0 110.842 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.494 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 86.1 mt -77.27 -21.77 53.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.172 0.51 . . . . 0.0 111.461 -177.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -76.0 -36.24 59.26 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 173.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -68.63 -34.2 75.33 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.87 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.589 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 14.1 p -70.37 -30.17 67.02 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.002 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -67.92 -40.13 83.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.973 176.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.37 -40.66 79.93 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.63 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.17 -48.12 89.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.91 0.386 . . . . 0.0 110.483 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.572 HD11 ' HG3' ' A' ' 57' ' ' LYS . 1.1 tt -57.78 -45.72 85.6 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.723 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -56.17 -37.43 69.56 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.831 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -71.08 -47.38 58.57 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.631 -176.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.18 -22.96 65.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.568 177.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 18' ' ' LEU . 76.7 mt -91.41 -13.99 31.41 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.037 178.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.1 m -71.89 154.91 40.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.489 0.661 . . . . 0.0 111.588 -178.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 13.6 mptt -62.63 -19.25 63.6 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.917 -174.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -61.67 -30.14 70.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.105 0.479 . . . . 0.0 111.089 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -112.46 -12.58 13.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.977 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' A' ' 20' ' ' LYS . . . -48.29 -36.09 13.49 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -174.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.58 -30.79 55.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.17 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -133.61 18.77 3.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.146 0.498 . . . . 0.0 110.605 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.437 ' C ' ' HD2' ' A' ' 28' ' ' PRO . . . -115.47 -12.92 11.62 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.262 178.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.595 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.4 p-90 -55.08 -35.93 39.46 Favored Pre-proline 0 CA--C 1.544 0.737 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -178.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 3.0 Cg_endo -56.08 -20.24 29.81 Favored 'Trans proline' 0 C--N 1.366 1.463 0 C-N-CA 121.522 1.481 . . . . 0.0 113.374 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.4 ' CD1' HD12 ' A' ' 99' ' ' LEU . 3.1 m-85 -112.52 -9.81 13.76 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -172.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -55.17 -51.94 64.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.617 0.246 . . . . 0.0 111.366 178.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.526 ' HB2' ' HZ3' ' A' ' 31' ' ' LYS . 9.6 mtmp? -136.33 159.33 71.15 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -176.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.05 142.42 76.99 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 123.02 2.48 . . . . 0.0 112.284 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.477 HG23 ' CE1' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -63.1 145.92 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.126 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -91.97 67.03 5.12 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.17 -46.79 54.46 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 114.516 -1.22 . . . . 0.0 112.877 -169.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.6 t -61.31 -41.86 97.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.613 0.244 . . . . 0.0 110.903 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.63 -26.77 61.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.327 0.584 . . . . 0.0 110.148 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.3 mt -80.95 -7.08 59.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.934 177.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.29 9.81 86.62 Favored Glycine 0 CA--C 1.52 0.38 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.247 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.497 HD12 ' HCA' ' B' ' 287' ' ' ALY . 9.8 mt -87.07 88.84 7.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.093 0.473 . . . . 0.0 110.18 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -85.26 6.8 24.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.665 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.408 ' O ' HD11 ' A' ' 46' ' ' ILE . 11.0 m-20 -124.98 21.75 8.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.822 0.344 . . . . 0.0 111.492 -178.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.477 ' CE1' HG23 ' A' ' 33' ' ' VAL . 86.4 t80 -72.42 -42.12 65.46 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.228 -0.295 . . . . 0.0 111.529 -172.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -79.16 -10.31 59.79 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.337 -177.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -85.09 -44.52 12.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.777 0.323 . . . . 0.0 110.631 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.447 HG23 ' HE3' ' A' ' 84' ' ' LYS . 2.1 mp -76.4 -46.34 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.379 0.609 . . . . 0.0 110.011 178.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.594 HD13 ' HB2' ' A' ' 85' ' ' TYR . 39.3 mm -92.25 95.38 5.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.671 -178.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -80.84 -27.2 36.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.519 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -116.75 69.49 4.54 Favored Pre-proline 0 C--O 1.239 0.545 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.539 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -77.43 119.29 4.86 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.583 2.189 . . . . 0.0 112.018 174.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.526 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 28.7 tpp -134.93 150.22 50.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.27 176.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.84 149.06 50.29 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 -177.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.501 ' HG ' ' HE2' ' A' ' 78' ' ' MET . 34.4 mt -57.03 -37.98 72.52 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.517 0.599 . . . . 0.0 111.928 -178.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.4 p -59.69 -42.15 92.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.799 0.333 . . . . 0.0 110.469 177.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.526 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 2.2 m -72.52 -34.78 67.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.819 -178.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.0 t -60.7 -47.37 93.34 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.365 0.602 . . . . 0.0 109.419 175.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.572 ' HG3' HD11 ' A' ' 14' ' ' LEU . 10.7 tttm -65.09 -40.84 95.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.933 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -55.41 -51.06 68.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.911 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -71.2 -30.83 66.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.966 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.443 ' HE1' ' SG ' ' A' ' 10' ' ' CYS . 29.3 ttm -66.13 -38.77 88.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.833 0.349 . . . . 0.0 110.215 173.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -66.28 -28.12 68.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.213 0.53 . . . . 0.0 110.731 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.401 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -84.66 -0.38 53.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.919 175.56 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 56.57 35.37 25.96 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.455 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.33 -12.54 60.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.818 176.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.511 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 1.0 OUTLIER -90.81 140.83 29.43 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.961 -177.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -94.92 -36.08 11.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -148.51 168.39 22.84 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 120.966 0.413 . . . . 0.0 110.177 -177.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 6' ' ' GLN . . . -67.19 -19.06 65.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.901 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -65.61 -41.0 93.25 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -67.89 -30.42 69.76 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.219 178.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.595 ' O ' HG11 ' A' ' 75' ' ' VAL . 4.2 t80 -66.37 -52.76 43.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.615 171.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.447 ' O ' ' HG2' ' A' ' 76' ' ' ARG . . . -54.06 -40.56 67.26 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.339 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.84 82.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.276 176.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.2 -46.31 51.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.795 -177.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.595 HG11 ' O ' ' A' ' 71' ' ' PHE . 2.4 p -66.23 -41.07 88.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.705 0.288 . . . . 0.0 111.229 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 6.3 ptp180 -69.07 -28.39 66.47 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.072 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 mt -64.12 -36.29 83.54 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.152 0.501 . . . . 0.0 110.613 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.606 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 12.0 tmm? -61.86 -51.17 69.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.562 175.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -59.7 -38.58 81.96 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.084 0.469 . . . . 0.0 110.565 176.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.1 m -61.25 -50.47 72.92 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.908 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.606 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 10.8 p30 -67.22 -26.94 66.85 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.089 -174.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.445 ' SG ' ' HB ' ' A' ' 92' ' ' VAL . 27.8 t -63.84 -43.7 95.4 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.09 175.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -66.92 -24.36 66.08 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.746 0.307 . . . . 0.0 110.972 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.447 ' HE3' HG23 ' A' ' 46' ' ' ILE . 62.5 tttp -75.93 -47.69 24.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.188 -178.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.594 ' HB2' HD13 ' A' ' 47' ' ' ILE . 65.9 t80 -74.14 -56.15 5.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.104 0.478 . . . . 0.0 111.437 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -80.37 127.04 77.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.003 -171.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -64.66 159.28 45.89 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.535 2.156 . . . . 0.0 111.984 177.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -37.92 -46.28 2.02 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 124.808 3.672 . . . . 0.0 114.675 -175.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -95.44 84.63 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.323 0.583 . . . . 0.0 110.536 -178.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.577 ' O ' HG21 ' A' ' 93' ' ' VAL . 2.7 t-80 -156.51 154.93 31.12 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.307 176.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.432 ' HB3' ' HE2' ' A' ' 95' ' ' MET . 3.3 m-20 -69.95 -33.2 71.8 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -175.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.445 ' HB ' ' SG ' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -72.89 -24.64 21.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.694 -173.442 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.577 HG21 ' O ' ' A' ' 90' ' ' HIS . 19.1 m -75.68 -34.32 28.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.269 -0.572 . . . . 0.0 109.709 176.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.88 -43.39 65.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.879 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.432 ' HE2' ' HB3' ' A' ' 91' ' ' ASP . 60.9 mtm -65.47 -34.16 77.62 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 176.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 100' ' ' GLN . . . -68.81 -28.78 67.06 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.392 176.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 73.9 mtp180 -73.21 -47.29 44.77 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.907 0.384 . . . . 0.0 111.336 179.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 101' ' ' ASP . 59.3 tttp -67.11 -42.97 83.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.017 0.437 . . . . 0.0 111.001 -177.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.439 ' HA ' HG13 ' A' ' 102' ' ' VAL . 0.3 OUTLIER -67.34 -26.3 66.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.114 174.249 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.605 ' O ' ' HB2' ' A' ' 104' ' ' GLU . 6.4 tp-100 -65.83 -33.25 75.42 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 174.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 98' ' ' LYS . 8.2 t70 -63.97 -53.91 42.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.068 178.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.464 HG12 ' H ' ' A' ' 103' ' ' PHE . 1.5 p -60.72 -54.31 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.238 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.464 ' H ' HG12 ' A' ' 102' ' ' VAL . 7.2 t80 -56.56 -37.12 70.12 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.61 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.605 ' HB2' ' O ' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -57.05 -58.44 8.17 Favored 'General case' 0 N--CA 1.456 -0.135 0 O-C-N 122.394 -0.191 . . . . 0.0 111.314 176.278 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -64.2 -29.69 70.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.606 -177.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 39.1 mmt180 -68.36 -46.36 70.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.73 0.3 . . . . 0.0 110.527 178.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -72.9 -27.4 61.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.342 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.09 74.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 0.0 111.031 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.37 -30.31 67.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.383 0.611 . . . . 0.0 109.777 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.41 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 2.0 tmt? -66.53 123.82 86.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.031 177.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -86.54 143.48 7.4 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.186 1.924 . . . . 0.0 112.002 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.476 -175.076 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 53.9 m80 . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 17.6 m120 64.57 82.83 0.18 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.604 0.565 . . . . 0.0 110.77 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 283' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' B' ' 283' ' ' LEU . 2.6 pt? -69.67 99.79 1.38 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.713 0.768 . . . . 0.0 110.063 177.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 63.8 mt -73.54 144.53 46.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.129 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 285' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' B' ' 285' ' ' ARG . 8.3 mpt_? -68.7 107.19 2.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.388 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 286' ' ' ILE . . . . . 0.549 HD13 ' H ' ' B' ' 286' ' ' ILE . 0.2 OUTLIER -50.99 118.88 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.242 0.544 . . . . 0.0 111.787 -179.013 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 287' ' ' ALY . . . . . 0.497 ' HCA' HD12 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 288' ' ' GLN . . . . . 0.441 ' O ' ' HD1' ' B' ' 289' ' ' PHE . 61.2 tt0 -76.77 85.85 3.38 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 175.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 289' ' ' PHE . . . . . 0.441 ' HD1' ' O ' ' B' ' 288' ' ' GLN . 0.2 OUTLIER -148.86 97.84 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.783 -168.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 290' ' ' LEU . . . . . 0.442 ' N ' HD22 ' B' ' 290' ' ' LEU . 1.6 pt? -142.58 -52.22 0.39 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.487 175.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 291' ' ' GLN . . . . . 0.418 ' N ' ' HG ' ' B' ' 290' ' ' LEU . 12.0 mm-40 -143.86 137.06 27.66 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 177.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.405 -0.807 . . . . 0.0 109.65 -176.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 112.162 -0.375 . . . . 0.0 112.162 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -91.78 151.88 20.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.956 0.408 . . . . 0.0 111.361 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.4 mt -80.61 103.52 10.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.232 176.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.0 m -72.46 178.22 4.15 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 175.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -50.85 -45.15 59.69 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -175.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.439 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 1.6 mp0 -62.35 -45.49 92.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.602 -179.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.552 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 95.3 mt -78.76 -22.79 45.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.201 0.524 . . . . 0.0 111.36 -176.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -75.99 -35.16 59.7 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 173.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -70.52 -35.7 73.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.853 176.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.553 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 14.2 p -68.84 -29.35 67.66 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -65.73 -42.35 91.11 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.833 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.93 -41.72 71.4 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 115.527 -0.761 . . . . 0.0 112.509 -177.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.79 -52.14 65.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.387 . . . . 0.0 110.468 177.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD11 ' HG3' ' A' ' 57' ' ' LYS . 1.4 tt -55.26 -48.42 74.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.553 177.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -55.14 -40.03 70.1 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.988 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.406 ' CD ' ' HE ' ' A' ' 106' ' ' ARG . 28.5 tt0 -69.95 -44.56 69.3 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.69 -176.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.68 -22.76 67.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.673 176.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 18' ' ' LEU . 70.1 mt -91.83 -8.93 45.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.821 177.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.0 m -75.53 148.83 38.62 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.301 0.572 . . . . 0.0 110.944 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 29.9 mmtp -59.4 -19.58 48.27 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.314 -175.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -56.68 -37.27 70.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 174.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -107.98 -13.89 14.87 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.735 -177.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.441 ' HB1' ' HA ' ' A' ' 20' ' ' LYS . . . -48.89 -35.9 15.85 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -175.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.53 -22.69 13.77 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.186 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -141.78 19.56 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.005 0.431 . . . . 0.0 110.641 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' CB ' HD13 ' A' ' 99' ' ' LEU . . . -114.94 -13.01 11.95 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.092 178.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.58 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 68.9 p-90 -56.61 -34.2 24.16 Favored Pre-proline 0 CA--C 1.548 0.879 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -176.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.4 Cg_endo -53.83 -24.2 30.08 Favored 'Trans proline' 0 C--N 1.37 1.681 0 C-N-CA 121.479 1.453 . . . . 0.0 113.051 176.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.413 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 1.6 m-85 -110.2 -7.27 14.89 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -171.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -57.99 -57.4 12.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.761 0.315 . . . . 0.0 110.632 175.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -129.15 156.45 78.23 Favored Pre-proline 0 N--CA 1.449 -0.492 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.719 -175.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.34 136.54 69.34 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.036 2.49 . . . . 0.0 112.229 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.552 HG12 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -58.69 144.64 11.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.754 178.342 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -84.13 64.89 8.47 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.47 -44.17 35.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.85 -1.068 . . . . 0.0 112.677 -169.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.9 t -62.6 -38.05 88.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.071 0.462 . . . . 0.0 110.551 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.01 -30.07 62.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.816 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.525 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -91.85 9.89 30.92 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 119.868 -0.733 . . . . 0.0 111.0 178.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.05 15.89 81.07 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.569 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.543 HD12 ' HCA' ' B' ' 287' ' ' ALY . 9.6 mt -91.72 86.94 6.11 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.286 0.565 . . . . 0.0 110.37 -178.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -85.46 -4.31 59.12 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.424 -176.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.478 ' O ' HD11 ' A' ' 46' ' ' ILE . 4.1 m-20 -112.34 14.17 20.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.285 -173.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -65.2 -40.94 94.87 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -169.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -85.12 -5.55 59.33 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.515 -176.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -90.43 -25.91 20.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.896 0.379 . . . . 0.0 110.761 177.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.478 HD11 ' O ' ' A' ' 42' ' ' ASP . 1.9 mp -94.26 -45.26 13.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.118 0.485 . . . . 0.0 109.713 176.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.495 HD13 ' HB2' ' A' ' 85' ' ' TYR . 21.9 mm -85.08 105.76 14.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.185 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 61.8 mmtt -89.48 -27.63 20.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.011 0.434 . . . . 0.0 111.422 -178.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -121.19 70.91 21.98 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.685 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.0 108.12 1.66 Allowed 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.234 1.956 . . . . 0.0 111.493 175.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.68 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 30.6 tpp -133.24 148.01 51.98 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.129 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -135.75 153.56 51.52 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.479 ' HG ' ' HE2' ' A' ' 78' ' ' MET . 33.3 mt -57.08 -39.82 75.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.204 0.456 . . . . 0.0 111.979 -175.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.0 m -62.04 -32.12 72.59 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.666 0.27 . . . . 0.0 111.089 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.68 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 2.1 m -78.13 -36.55 47.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.748 0.309 . . . . 0.0 110.559 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.0 t -59.2 -45.88 92.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.54 ' HG3' HD11 ' A' ' 14' ' ' LEU . 19.6 tttt -65.59 -41.25 93.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.155 179.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -54.45 -52.02 63.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.883 177.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -70.39 -28.16 64.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.623 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.455 ' HE1' ' SG ' ' A' ' 10' ' ' CYS . 28.7 ttm -69.64 -36.07 75.77 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 174.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 43.5 mt-10 -65.86 -32.71 74.39 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.73 177.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.54 -1.86 47.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.467 177.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 57.44 37.19 27.75 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 114.483 -1.235 . . . . 0.0 111.391 175.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.44 -20.27 62.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.839 175.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.518 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -82.71 145.05 29.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.051 -175.163 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.573 ' NE ' ' HA ' ' A' ' 66' ' ' ARG . 3.9 mmp_? -106.88 -29.66 9.35 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.954 176.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -148.85 166.34 28.8 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.439 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -71.18 -17.24 62.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.198 -178.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -67.44 -38.83 85.12 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -67.63 -35.29 78.64 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.912 177.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.627 ' O ' HG11 ' A' ' 75' ' ' VAL . 4.7 t80 -63.65 -53.79 45.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.463 172.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' ' 76' ' ' ARG . . . -52.44 -43.52 64.94 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.462 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.89 -44.99 74.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.488 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -77.46 -44.08 30.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -174.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.627 HG11 ' O ' ' A' ' 71' ' ' PHE . 2.4 p -68.0 -40.95 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.605 0.24 . . . . 0.0 111.347 -179.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 8.8 ptp180 -67.82 -30.53 69.97 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.12 -33.48 75.87 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 176.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.645 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 10.1 tmm? -62.72 -52.12 64.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.71 175.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -59.44 -36.98 76.96 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.237 0.541 . . . . 0.0 110.426 176.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.6 m -63.7 -44.41 93.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.914 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.645 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 12.0 p30 -66.81 -30.66 70.92 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.246 -0.581 . . . . 0.0 110.663 -177.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 14.4 t -61.61 -43.44 98.86 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.319 176.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -67.65 -25.5 65.75 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.257 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -67.05 -47.6 70.86 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.3 0.572 . . . . 0.0 110.409 178.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.495 ' HB2' HD13 ' A' ' 47' ' ' ILE . 68.3 t80 -77.72 -59.83 2.62 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.566 -171.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -84.05 130.49 54.57 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.468 -172.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -58.08 154.49 39.15 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.435 2.09 . . . . 0.0 111.772 176.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -46.95 -26.49 4.89 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 124.688 3.592 . . . . 0.0 115.025 -170.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -113.82 82.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.148 0.499 . . . . 0.0 110.316 176.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.69 ' O ' HG21 ' A' ' 93' ' ' VAL . 38.6 t-80 -150.04 147.62 28.04 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 175.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.78 -45.07 19.62 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -174.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -28.13 41.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -173.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.69 HG21 ' O ' ' A' ' 90' ' ' HIS . 11.2 m -79.56 -34.2 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.133 -179.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.86 -41.31 78.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.044 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 51.1 mtm -67.43 -35.61 79.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.436 177.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.82 -33.91 74.63 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.094 0.474 . . . . 0.0 110.583 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.5 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 59.2 ttt180 -76.41 -40.55 50.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.056 -176.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -66.15 -45.13 82.07 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.391 0.615 . . . . 0.0 110.411 178.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.462 HD13 ' CB ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -64.11 -24.5 67.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.186 174.321 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.5 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 44.1 tt0 -64.11 -44.86 90.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 172.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.96 -45.37 71.31 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.57 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.625 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.7 p -70.52 -58.7 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.311 178.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.493 ' H ' HG12 ' A' ' 102' ' ' VAL . 4.6 t80 -53.01 -40.13 63.64 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -71.66 -43.17 66.55 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -176.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -64.66 -34.04 77.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.435 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 24.9 mmt180 -66.73 -46.13 76.43 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.392 178.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -69.74 -30.36 67.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.203 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.4 -38.36 84.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 176.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -75.12 -28.59 60.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.061 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.416 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 2.0 tmt? -64.95 120.71 69.02 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.105 178.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -91.09 163.67 3.81 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 122.927 2.418 . . . . 0.0 112.413 175.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.838 176.191 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 84.7 t60 . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.646 0.26 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -106.27 104.72 14.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.878 0.37 . . . . 0.0 110.049 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 28.9 tp -107.31 44.17 1.1 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.727 0.775 . . . . 0.0 109.675 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 53.0 tp -113.05 135.98 53.19 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.73 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -56.3 127.69 32.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.069 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 16.4 pt -93.51 132.09 38.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.413 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 287' ' ' ALY . . . . . 0.552 ' NZ ' HG12 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -73.94 67.99 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.064 0.459 . . . . 0.0 111.143 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -120.5 93.24 3.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.83 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 88.8 mt -123.6 103.2 8.28 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.01 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -74.28 103.01 4.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.984 0.421 . . . . 0.0 111.062 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 15.6 t . . . . . 0 C--O 1.246 0.902 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.164 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.891 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.48 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 72.7 mmtt -86.57 40.15 0.87 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.506 -0.408 . . . . 0.0 111.255 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.8 mt 65.38 100.8 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.562 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.4 m -73.79 177.77 5.28 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.442 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -49.44 -50.68 39.82 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.855 0.36 . . . . 0.0 111.952 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 1.3 mp0 -62.27 -41.8 98.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.767 -178.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.528 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 93.7 mt -77.79 -22.82 49.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.133 0.492 . . . . 0.0 111.305 -177.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -73.55 -35.67 65.55 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.73 -31.44 64.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.366 178.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.655 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 13.9 p -71.01 -28.12 64.18 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.06 -38.69 69.41 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.742 176.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.31 -48.3 46.39 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.971 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.443 HD13 HG23 ' A' ' 13' ' ' ILE . 8.8 mt -61.74 -43.16 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 120.756 0.313 . . . . 0.0 111.268 178.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.593 HD11 ' HG3' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -58.28 -47.59 83.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.126 0.488 . . . . 0.0 109.966 176.158 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -54.3 -37.23 64.56 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.072 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -70.98 -47.43 58.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.533 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.76 -25.47 68.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.268 0.556 . . . . 0.0 109.979 177.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.437 HD11 ' HD2' ' A' ' 57' ' ' LYS . 61.8 mt -90.06 -11.01 42.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.766 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.9 m -66.89 143.7 56.7 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.311 0.577 . . . . 0.0 110.821 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.485 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 36.7 tptt -60.33 -23.61 64.36 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.894 -175.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -54.64 -38.23 66.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.132 174.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -104.15 -14.08 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.259 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.485 ' HB1' ' HA ' ' A' ' 20' ' ' LYS . . . -49.21 -34.51 14.93 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -175.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.42 -28.5 30.11 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.491 0.494 . . . . 0.0 111.904 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -135.34 18.87 3.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.106 0.479 . . . . 0.0 110.56 178.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' CB ' HD13 ' A' ' 99' ' ' LEU . . . -116.94 -15.5 10.62 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.452 178.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.601 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.1 p-90 -55.99 -35.62 36.79 Favored Pre-proline 0 CA--C 1.546 0.791 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -176.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 5.9 Cg_endo -56.17 -20.68 32.22 Favored 'Trans proline' 0 C--N 1.366 1.456 0 C-N-CA 121.685 1.59 . . . . 0.0 113.236 177.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.4 ' CD1' HD12 ' A' ' 99' ' ' LEU . 5.2 m-85 -110.1 -9.1 14.73 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -172.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -54.89 -49.85 70.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.123 174.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -138.42 156.32 73.47 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.109 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.45 ' HD3' ' OD1' ' A' ' 52' ' ' ASP . 22.3 Cg_endo -60.29 152.74 64.51 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.053 2.502 . . . . 0.0 112.093 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.513 HG12 ' NZ ' ' B' ' 287' ' ' ALY . 1.0 OUTLIER -65.97 149.34 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.021 -174.204 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -84.09 67.46 9.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.025 -177.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.38 -35.69 63.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.209 -174.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.8 m -63.44 -40.4 97.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.027 0.441 . . . . 0.0 110.601 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.92 -27.66 30.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.268 0.556 . . . . 0.0 110.748 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.481 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 36.5 mt -81.76 -9.06 59.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.361 -177.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.09 5.96 89.26 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.059 -0.591 . . . . 0.0 111.896 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.545 HD12 ' HCA' ' B' ' 287' ' ' ALY . 10.9 mt -86.15 77.16 9.64 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.096 0.474 . . . . 0.0 110.363 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -67.91 -17.57 64.51 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.981 -173.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.41 26.64 10.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.397 -173.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -64.83 -39.41 93.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.407 -176.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -78.71 -10.99 59.96 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.539 -178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -84.79 -33.01 23.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.019 0.438 . . . . 0.0 110.773 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 mp -88.35 -44.55 15.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 176.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.509 HD13 ' HB2' ' A' ' 85' ' ' TYR . 22.9 mm -86.59 103.1 12.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.239 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -86.25 -28.1 24.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -123.01 69.39 37.79 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.267 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.2 107.58 1.78 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.418 2.079 . . . . 0.0 111.844 176.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.484 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 30.0 tpp -130.58 150.63 51.7 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.684 -179.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.506 ' CG ' ' HG1' ' A' ' 55' ' ' THR . 4.5 p-10 -137.76 156.8 47.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.118 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.533 ' HB3' HD23 ' A' ' 14' ' ' LEU . 51.2 mt -64.01 -26.22 68.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.37 -173.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.2 t -71.06 -40.81 71.41 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.506 ' HG1' ' CG ' ' A' ' 52' ' ' ASP . 23.7 m -73.22 -34.36 65.88 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.234 177.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 52' ' ' ASP . 95.8 t -58.48 -47.41 88.32 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.593 ' HG3' HD11 ' A' ' 14' ' ' LEU . 17.8 tttt -65.92 -39.28 90.41 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.218 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -55.8 -53.13 60.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.04 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' CB ' ' HE2' ' A' ' 65' ' ' TYR . 6.3 mtpm? -68.71 -25.86 64.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.101 0.477 . . . . 0.0 110.272 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.407 ' HE1' ' SG ' ' A' ' 10' ' ' CYS . 27.6 ttm -71.39 -37.64 71.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.409 173.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.58 -29.08 69.06 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.019 0.438 . . . . 0.0 110.665 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.472 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -81.55 -3.26 52.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.521 0.677 . . . . 0.0 109.187 177.016 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.48 ' NH1' ' HA ' ' A' ' 2' ' ' LYS . 21.1 mmt85 57.2 33.86 23.95 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.517 175.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -75.75 -18.19 59.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.531 176.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.509 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.8 OUTLIER -78.2 140.25 38.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.767 178.794 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -102.03 -34.28 9.39 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.32 176.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -138.25 160.16 40.17 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -172.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 6' ' ' GLN . . . -71.21 -16.78 62.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.234 0.54 . . . . 0.0 109.767 178.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -69.62 -38.76 77.37 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.227 176.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -65.8 -33.49 75.98 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.779 176.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.655 ' CG ' ' HB2' ' A' ' 10' ' ' CYS . 4.0 t80 -65.11 -53.29 47.53 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.705 172.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.424 ' HA ' ' CG1' ' A' ' 75' ' ' VAL . . . -54.41 -39.4 67.26 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.074 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.56 -45.07 81.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.269 176.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.29 -50.18 29.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.865 0.364 . . . . 0.0 111.277 -177.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.544 HG11 ' O ' ' A' ' 71' ' ' PHE . 2.6 p -64.85 -41.04 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.664 -177.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -70.02 -29.1 66.07 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.174 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.51 -30.74 71.54 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.963 0.411 . . . . 0.0 110.08 175.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.642 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 11.4 tmm? -64.95 -48.72 73.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.341 174.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -61.82 -36.34 80.86 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.12 0.486 . . . . 0.0 110.793 175.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.2 m -64.89 -46.77 80.36 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.738 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.642 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 11.4 p30 -66.26 -30.81 71.31 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.697 -177.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 4.3 t -58.23 -50.01 75.07 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.785 174.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -65.63 -24.07 66.96 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.972 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 81' ' ' ASN . 2.7 mmmt -62.59 -53.69 50.87 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.396 0.617 . . . . 0.0 110.594 175.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.613 ' HD2' ' ND2' ' A' ' 86' ' ' ASN . 61.9 t80 -79.21 -44.14 22.43 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.419 -170.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.613 ' ND2' ' HD2' ' A' ' 85' ' ' TYR . 3.9 m120 -92.5 127.43 48.5 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.617 -170.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -65.35 157.36 58.3 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.416 2.077 . . . . 0.0 111.2 174.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -50.86 -21.99 9.29 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 124.483 3.455 . . . . 0.0 114.428 -170.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -111.43 83.92 1.86 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.636 0.255 . . . . 0.0 110.738 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.571 ' O ' HG21 ' A' ' 93' ' ' VAL . 2.9 t-80 -160.64 159.52 30.49 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 174.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.528 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 2.1 p30 -51.77 -52.01 52.05 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -21.62 28.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -169.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.603 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 17.4 m -80.09 -34.26 14.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 119.896 -0.722 . . . . 0.0 109.406 175.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.85 -42.8 73.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.374 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.528 ' HE2' ' HB2' ' A' ' 91' ' ' ASP . 64.0 mtm -68.06 -35.54 78.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.245 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.57 -32.87 73.92 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 120.667 0.27 . . . . 0.0 110.573 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 19.6 mtm180 -70.69 -48.06 56.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.731 0.301 . . . . 0.0 110.825 178.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -66.31 -44.46 83.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.078 0.466 . . . . 0.0 111.011 -176.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.462 HD13 ' CB ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -66.27 -24.7 66.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.242 174.837 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.462 ' O ' ' HB3' ' A' ' 104' ' ' GLU . 4.6 tp-100 -64.66 -43.86 92.26 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -56.47 -50.87 70.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.421 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.455 HG12 ' H ' ' A' ' 103' ' ' PHE . 1.5 p -62.74 -54.15 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.448 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.455 ' H ' HG12 ' A' ' 102' ' ' VAL . 4.8 t80 -55.21 -39.14 69.3 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.576 0.226 . . . . 0.0 111.311 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.462 ' HB3' ' O ' ' A' ' 100' ' ' GLN . 6.2 tt0 -75.97 -37.33 58.68 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 120.621 0.248 . . . . 0.0 110.711 -176.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -70.23 -36.98 74.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.172 0.511 . . . . 0.0 110.235 176.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -65.24 -45.88 82.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.048 177.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -68.44 -27.01 65.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.131 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.42 -36.72 83.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.026 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -79.16 -21.22 46.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.244 0.545 . . . . 0.0 109.917 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.422 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 2.0 tmt? -69.3 122.02 84.04 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.65 177.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -85.02 156.63 11.38 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.39 2.06 . . . . 0.0 112.312 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.773 -0.632 . . . . 0.0 110.66 -177.572 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 111.3 0.111 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -81.91 -72.98 0.41 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.73 0.3 . . . . 0.0 110.267 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 55.3 tp -103.62 117.22 33.9 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.78 137.39 34.37 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.272 0.558 . . . . 0.0 111.766 -175.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 285' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 285' ' ' ARG . 42.6 mtt180 -72.26 127.97 34.19 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.41 174.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 16.5 pt -84.19 135.03 25.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 C-N-CA 120.221 -0.592 . . . . 0.0 109.68 177.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 287' ' ' ALY . . . . . 0.545 ' HCA' HD12 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -80.32 61.57 4.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.954 0.407 . . . . 0.0 111.36 -177.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -88.96 104.57 17.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.441 0.639 . . . . 0.0 110.609 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 25.6 tp -157.92 152.79 25.27 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.341 -0.845 . . . . 0.0 108.758 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -86.35 70.69 10.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.471 0.653 . . . . 0.0 110.054 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.25 1.125 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.274 -179.942 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 111.856 -0.498 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 59.92 55.81 3.69 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 122.549 0.34 . . . . 0.0 110.609 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.455 ' HG ' ' CZ ' ' A' ' 63' ' ' ARG . 97.4 mt 61.52 95.66 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.221 -176.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.4 t -73.88 -179.92 3.95 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.42 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -51.86 -44.95 63.89 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -171.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.97 -44.06 86.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.826 0.346 . . . . 0.0 110.458 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.612 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 95.4 mt -76.85 -27.61 55.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.125 0.488 . . . . 0.0 111.356 -176.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -72.75 -33.98 66.7 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -71.73 -37.28 70.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.79 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.612 ' SG ' ' HA ' ' A' ' 7' ' ' LEU . 14.5 p -68.29 -29.43 68.2 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.068 178.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -66.61 -40.18 88.71 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.944 176.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.25 -42.42 57.57 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.417 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.94 -50.65 78.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.052 0.453 . . . . 0.0 110.457 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.565 HD11 ' HG3' ' A' ' 57' ' ' LYS . 1.3 tt -54.96 -47.67 74.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.859 176.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -55.94 -37.43 68.96 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.22 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -74.17 -42.41 59.94 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.676 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.59 -20.89 66.52 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 18' ' ' LEU . 71.9 mt -92.08 -13.44 30.83 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.193 177.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 76.8 p -68.85 154.14 42.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.345 0.593 . . . . 0.0 111.283 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 45.1 tptt -63.69 -17.31 62.85 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.087 -177.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -60.47 -37.32 80.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.904 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -108.07 -11.87 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.86 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.426 ' HB1' ' HA ' ' A' ' 20' ' ' LYS . . . -49.21 -34.73 15.44 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -174.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.06 -29.55 44.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.812 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -134.92 19.95 3.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.148 0.499 . . . . 0.0 110.882 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.45 ' CB ' HD13 ' A' ' 99' ' ' LEU . . . -114.73 -12.93 12.1 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.065 177.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.597 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.7 p-90 -55.93 -35.0 29.68 Favored Pre-proline 0 CA--C 1.547 0.834 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -177.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.1 Cg_endo -54.62 -22.36 28.18 Favored 'Trans proline' 0 C--N 1.369 1.633 0 C-N-CA 121.785 1.657 . . . . 0.0 113.092 177.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -112.27 -8.22 13.96 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -171.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -56.72 -53.97 51.59 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.971 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -134.23 157.03 78.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.493 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.62 135.4 66.67 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.103 2.535 . . . . 0.0 111.914 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.415 HG12 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -60.14 146.55 10.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.964 -177.073 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -87.68 66.96 9.1 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -177.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.403 ' HA ' HD12 ' A' ' 38' ' ' LEU . . . -48.73 -46.09 40.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.383 -171.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -60.05 -38.89 84.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.807 0.337 . . . . 0.0 111.092 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.96 -17.1 57.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.886 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.502 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -103.31 6.99 38.33 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 120.09 -0.644 . . . . 0.0 111.099 178.218 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.03 6.48 88.84 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 121.169 -0.539 . . . . 0.0 112.777 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.534 HD12 ' HCA' ' B' ' 287' ' ' ALY . 7.2 mt -87.85 89.4 7.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.916 0.388 . . . . 0.0 110.336 -177.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -85.33 3.51 39.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.668 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.417 ' O ' HD11 ' A' ' 46' ' ' ILE . 3.8 m-20 -126.85 21.96 6.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.919 -173.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.41 ' CE1' HG23 ' A' ' 33' ' ' VAL . 78.9 t80 -71.91 -40.6 68.72 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.636 0.255 . . . . 0.0 111.611 -172.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -83.17 -3.96 57.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.744 0.307 . . . . 0.0 111.004 -175.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -89.55 -46.86 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.083 0.468 . . . . 0.0 110.337 175.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.417 HD11 ' O ' ' A' ' 42' ' ' ASP . 2.0 mp -73.5 -44.31 54.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.272 0.558 . . . . 0.0 109.7 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.587 HD13 ' HB2' ' A' ' 85' ' ' TYR . 40.2 mm -92.87 98.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.822 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -84.88 -22.08 29.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.322 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.531 ' ND1' HD21 ' A' ' 77' ' ' LEU . 9.2 p80 -120.63 69.25 16.14 Favored Pre-proline 0 CA--C 1.541 0.598 0 CA-C-O 120.701 0.286 . . . . 0.0 111.724 174.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.29 117.9 5.01 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.746 2.298 . . . . 0.0 112.435 175.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.586 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 29.6 tpp -133.28 149.28 51.95 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.291 178.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.26 148.12 51.96 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 -176.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.459 ' HG ' ' HE2' ' A' ' 78' ' ' MET . 30.9 mt -57.53 -38.56 74.89 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.65 0.659 . . . . 0.0 112.158 -177.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.3 m -64.0 -29.81 70.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.931 0.396 . . . . 0.0 111.077 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.586 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 2.8 m -80.44 -34.79 35.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.493 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.4 t -60.4 -47.13 93.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-O 121.445 0.64 . . . . 0.0 109.287 175.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.565 ' HG3' HD11 ' A' ' 14' ' ' LEU . 18.4 tttt -64.26 -40.51 96.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.763 179.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -54.14 -50.6 66.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.223 177.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -74.67 -29.81 61.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.682 -177.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.514 ' HE1' ' SG ' ' A' ' 10' ' ' CYS . 29.3 ttm -65.09 -37.99 89.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.294 171.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 43.5 mt-10 -64.73 -31.58 72.86 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.062 0.458 . . . . 0.0 110.699 177.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.408 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -83.69 -0.73 51.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.771 177.346 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.455 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 17.2 mmt85 57.25 33.13 22.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.566 176.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.02 -23.21 65.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.317 175.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.55 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -84.16 143.52 29.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.672 -176.872 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -104.07 -31.92 9.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.949 0.404 . . . . 0.0 110.205 175.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -141.91 165.91 26.15 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.929 -175.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.409 ' HB1' ' HE1' ' A' ' 110' ' ' MET . . . -73.21 -16.07 61.42 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.371 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -74.45 -26.18 59.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.38 177.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -76.41 -31.76 58.12 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.327 173.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.574 ' CG ' ' HB2' ' A' ' 10' ' ' CYS . 5.7 t80 -65.19 -51.72 59.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.728 171.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.53 ' O ' ' HB3' ' A' ' 76' ' ' ARG . . . -55.71 -36.8 67.58 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.515 178.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.27 85.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.95 176.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.31 -52.96 13.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.971 -177.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.571 HG11 ' O ' ' A' ' 71' ' ' PHE . 3.5 p -64.78 -37.29 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 120.71 0.291 . . . . 0.0 111.388 -176.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.53 ' HB3' ' O ' ' A' ' 72' ' ' ALA . 32.2 ttt180 -73.25 -29.86 63.05 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 120.399 -0.52 . . . . 0.0 109.997 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.531 HD21 ' ND1' ' A' ' 49' ' ' HIS . 4.1 mt -60.1 -36.51 77.58 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.287 0.565 . . . . 0.0 110.877 173.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.63 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 9.8 tmm? -63.29 -53.13 57.56 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.18 176.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -58.84 -39.57 81.67 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.253 0.549 . . . . 0.0 110.456 176.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.4 t -60.06 -51.62 68.86 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.621 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.63 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 9.1 p30 -65.88 -28.11 68.71 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.888 -174.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.44 ' SG ' ' HB ' ' A' ' 92' ' ' VAL . 19.3 t -63.79 -43.09 97.36 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.442 176.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -66.3 -24.8 66.61 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.782 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -74.94 -46.9 32.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.462 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.587 ' HB2' HD13 ' A' ' 47' ' ' ILE . 88.7 t80 -75.37 -53.23 9.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.186 0.517 . . . . 0.0 111.033 -176.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -88.51 129.39 49.33 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.793 -172.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -64.36 151.43 85.5 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.219 1.946 . . . . 0.0 110.699 174.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.69 -21.18 14.14 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 124.245 3.297 . . . . 0.0 113.626 -173.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -94.09 70.39 3.89 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.499 ' HD1' HG21 ' A' ' 92' ' ' VAL . 3.7 t-80 -156.84 162.62 39.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.271 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.491 ' HB3' ' HE2' ' A' ' 95' ' ' MET . 2.7 m-20 -69.13 -46.5 67.49 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.499 HG21 ' HD1' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -63.86 -28.4 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -171.077 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.9 m -75.93 -34.07 26.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.635 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.31 -42.3 68.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.008 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.491 ' HE2' ' HB3' ' A' ' 91' ' ' ASP . 57.2 mtm -66.62 -38.28 86.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.482 177.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.42 -31.87 72.9 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 120.916 0.389 . . . . 0.0 110.317 178.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 42.9 ttp180 -74.35 -43.15 57.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.953 -178.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -70.31 -41.72 72.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.537 -177.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.45 HD13 ' CB ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -67.03 -28.6 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.104 172.704 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.446 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 7.2 tp60 -61.45 -41.71 97.64 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -56.04 -51.91 66.12 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.97 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.59 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.7 p -65.46 -55.15 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.462 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.466 ' H ' HG12 ' A' ' 102' ' ' VAL . 2.8 t80 -54.08 -43.9 70.72 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.95 -33.13 70.17 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.184 -175.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -69.53 -38.12 77.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.216 178.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 27.5 mmt180 -64.97 -45.95 83.55 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.245 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -68.83 -29.92 68.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.197 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.42 -32.84 73.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.565 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.03 -11.08 33.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.343 0.592 . . . . 0.0 110.359 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.409 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 1.9 tmt? -73.6 125.61 90.42 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.914 175.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -81.52 144.15 14.04 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 121.617 1.545 . . . . 0.0 112.12 175.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.9 t70 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.231 -176.147 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 67.69 100.44 0.05 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.92 0.762 . . . . 0.0 110.651 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 56.8 tp -80.07 80.16 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.387 0.613 . . . . 0.0 110.195 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 53.2 tp -69.41 135.67 50.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.234 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -70.97 149.77 46.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.31 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 286' ' ' ILE . . . . . 0.58 HD13 ' H ' ' B' ' 286' ' ' ILE . 0.1 OUTLIER -98.01 133.6 39.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.097 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 287' ' ' ALY . . . . . 0.534 ' HCA' HD12 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -78.77 65.2 3.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.496 0.665 . . . . 0.0 110.678 -176.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -112.24 24.24 12.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.246 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 6.7 mp -86.87 76.36 9.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.777 -179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -90.24 -62.73 1.4 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.909 -176.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 40.0 m . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.555 -0.736 . . . . 0.0 110.594 -177.594 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 112.2 -0.36 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.454 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 47.3 mmtm 59.83 43.28 15.33 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 122.796 0.438 . . . . 0.0 111.322 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.522 ' HG ' ' CZ ' ' A' ' 63' ' ' ARG . 93.1 mt 67.93 106.13 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.169 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.0 m -66.34 170.72 5.61 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 174.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -56.43 -39.48 73.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 117.856 0.298 . . . . 0.0 111.258 -176.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.89 -47.55 85.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.092 175.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.624 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 95.9 mt -73.91 -24.45 59.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.109 0.48 . . . . 0.0 111.564 -175.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -72.2 -36.0 69.09 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.93 -32.15 65.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.089 177.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.664 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 13.9 p -71.78 -27.25 62.83 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -72.78 -37.99 67.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.773 176.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.94 -50.36 41.5 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.694 -178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.454 HD13 HG23 ' A' ' 13' ' ' ILE . 12.7 mt -59.83 -43.24 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 120.754 0.311 . . . . 0.0 111.333 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.592 HD11 ' HG3' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -57.0 -47.26 81.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.274 176.655 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -55.52 -40.65 72.06 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.848 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -65.28 -46.39 80.63 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.581 -177.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.6 mt -64.78 -23.34 67.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.944 177.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 18' ' ' LEU . 67.8 mt -93.29 -6.67 46.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.89 179.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 m -73.76 145.21 45.26 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.119 0.485 . . . . 0.0 110.755 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.492 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 33.0 tptt -60.71 -20.59 61.48 Favored 'General case' 0 C--N 1.335 -0.055 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.896 -175.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -54.83 -36.49 65.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.103 173.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -107.53 -13.45 15.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.834 -176.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.492 ' HB1' ' HA ' ' A' ' 20' ' ' LYS . . . -50.53 -33.07 20.22 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.81 -24.29 35.19 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.473 0.483 . . . . 0.0 111.668 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -139.11 19.91 2.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.996 0.427 . . . . 0.0 110.647 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.509 ' CB ' HD13 ' A' ' 99' ' ' LEU . . . -117.95 -13.55 10.04 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.548 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.603 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 69.5 p-90 -55.64 -34.61 26.46 Favored Pre-proline 0 CA--C 1.546 0.819 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -176.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.3 Cg_endo -53.9 -26.11 38.5 Favored 'Trans proline' 0 C--N 1.367 1.514 0 C-N-CA 121.608 1.539 . . . . 0.0 113.068 177.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.401 ' CD1' HD12 ' A' ' 99' ' ' LEU . 2.0 m-85 -108.84 -8.86 15.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.751 -172.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -54.28 -55.77 25.03 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.661 0.267 . . . . 0.0 111.244 176.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -133.89 155.58 80.12 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.236 -177.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.432 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 9.9 Cg_endo -52.98 139.75 60.36 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.038 2.492 . . . . 0.0 112.543 -178.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.483 HG12 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -59.58 147.68 8.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.763 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -89.68 66.4 7.15 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.6 -40.89 63.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.939 -169.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.9 m -64.55 -41.58 96.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.857 0.36 . . . . 0.0 110.932 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.09 -24.77 55.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.445 0.64 . . . . 0.0 110.541 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.456 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 33.0 mt -80.96 -6.18 58.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.048 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.86 6.5 89.07 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.017 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.465 HD12 ' HCA' ' B' ' 287' ' ' ALY . 11.6 mt -83.45 89.63 7.08 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.142 0.496 . . . . 0.0 109.736 -177.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -75.53 -11.58 60.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.851 -170.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -137.21 43.46 2.34 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.195 0.522 . . . . 0.0 110.889 -176.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -66.74 -38.7 87.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.776 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -81.4 -0.94 43.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.935 0.397 . . . . 0.0 111.583 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.32 -39.47 10.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.93 0.395 . . . . 0.0 110.473 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.68 -42.78 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.52 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.54 HD13 ' HB2' ' A' ' 85' ' ' TYR . 19.6 mm -86.97 120.54 36.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -178.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 61.5 mmtt -92.52 -30.24 15.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.641 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -125.49 72.27 66.81 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.304 176.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.29 106.19 0.98 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.321 2.014 . . . . 0.0 111.882 176.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.615 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 30.4 tpp -133.51 149.53 51.71 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.368 -178.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.432 ' OD2' ' HA ' ' A' ' 32' ' ' PRO . 5.0 m-20 -138.32 153.24 49.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.489 ' HB3' HD23 ' A' ' 14' ' ' LEU . 41.2 mt -57.4 -39.54 76.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 118.476 0.58 . . . . 0.0 112.108 -175.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.1 p -60.65 -35.6 76.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.856 0.36 . . . . 0.0 111.041 177.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.615 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 1.9 m -76.66 -35.81 57.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.558 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.1 t -60.26 -46.98 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.592 ' HG3' HD11 ' A' ' 14' ' ' LEU . 16.5 tttt -65.78 -39.97 91.51 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.152 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -54.19 -54.88 33.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.859 176.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -68.82 -30.38 68.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.591 -177.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.53 ' HE1' ' SG ' ' A' ' 10' ' ' CYS . 28.8 ttm -65.85 -40.08 91.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.444 173.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 39.5 mt-10 -66.89 -31.35 71.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.098 0.475 . . . . 0.0 110.751 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.435 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -81.02 -3.76 52.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.476 0.655 . . . . 0.0 109.557 177.068 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.522 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 14.3 mmt85 59.77 37.6 21.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 114.35 -1.296 . . . . 0.0 111.764 177.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.97 -22.24 64.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.512 171.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.517 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -86.42 140.31 30.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.192 -175.758 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -102.06 -32.82 9.96 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.727 176.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -140.64 159.87 41.26 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -173.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.4 -17.31 63.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.967 0.413 . . . . 0.0 109.926 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -72.29 -32.73 66.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.855 177.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -67.6 -34.55 77.23 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 173.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.664 ' CG ' ' HB2' ' A' ' 10' ' ' CYS . 5.5 t80 -64.94 -53.56 44.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.804 173.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.09 -37.28 69.15 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.469 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 77' ' ' LEU . . . -56.73 -48.54 77.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.914 175.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -77.48 -42.32 36.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.681 -173.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.621 HG11 ' O ' ' A' ' 71' ' ' PHE . 3.6 p -68.2 -42.67 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -178.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -71.97 -27.92 63.09 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.772 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -63.99 -32.26 73.74 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.266 174.247 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.639 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 8.1 tmm? -64.58 -52.39 57.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.339 176.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -60.52 -33.95 73.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.998 0.427 . . . . 0.0 110.821 176.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.2 t -63.97 -47.25 81.12 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.282 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.639 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 11.0 p30 -68.4 -24.79 64.8 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.865 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 62.6 m -63.95 -47.28 81.07 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 176.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -68.14 -23.88 64.93 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.175 0.512 . . . . 0.0 110.199 177.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -33.97 62.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.293 -176.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.61 ' HD2' ' ND2' ' A' ' 86' ' ' ASN . 67.9 t80 -93.2 -51.4 5.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.573 178.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.61 ' ND2' ' HD2' ' A' ' 85' ' ' TYR . 5.0 m120 -80.94 130.38 63.75 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 122.311 -0.243 . . . . 0.0 110.465 -174.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.87 159.08 39.5 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.647 2.231 . . . . 0.0 111.982 176.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -49.89 -25.19 11.63 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 124.631 3.554 . . . . 0.0 114.761 -169.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -118.02 93.26 4.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.161 0.505 . . . . 0.0 110.694 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.582 ' O ' HG21 ' A' ' 93' ' ' VAL . 18.1 t-80 -161.65 154.36 20.33 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.498 ' HB3' ' HE2' ' A' ' 95' ' ' MET . 6.2 m-20 -53.04 -44.38 67.37 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.407 ' HB ' ' OD1' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -65.46 -28.74 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -172.008 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.582 HG21 ' O ' ' A' ' 90' ' ' HIS . 13.0 m -80.88 -34.55 13.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.344 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.97 -40.22 78.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.224 176.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.498 ' HE2' ' HB3' ' A' ' 91' ' ' ASP . 50.5 mtm -68.29 -33.16 73.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.96 175.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.23 -46.89 78.77 Favored 'General case' 0 C--O 1.227 -0.106 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.529 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 62.5 mtt180 -59.05 -46.29 88.63 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.514 -179.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 101' ' ' ASP . 84.2 tttt -70.04 -42.85 72.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.108 -176.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.509 HD13 ' CB ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -67.01 -31.87 72.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.54 174.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -67.24 -28.53 68.13 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' A' ' 98' ' ' LYS . 15.4 t70 -66.2 -47.92 72.33 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.227 178.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 99' ' ' LEU . 0.6 OUTLIER -64.03 -55.82 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.735 177.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.412 ' H ' HG12 ' A' ' 102' ' ' VAL . 5.6 t80 -50.7 -42.39 56.96 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 177.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -70.25 -36.86 74.75 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.107 -173.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -81.48 -27.3 34.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.745 0.307 . . . . 0.0 111.002 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.419 ' HB3' ' CD1' ' A' ' 13' ' ' ILE . 15.1 mmt180 -65.67 -46.35 79.42 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -71.85 -25.34 61.92 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.349 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.42 -38.98 78.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.999 0.428 . . . . 0.0 110.564 176.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -24.66 61.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.668 177.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -70.48 118.91 68.92 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.846 177.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -92.61 161.58 2.88 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 122.908 2.406 . . . . 0.0 112.266 175.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.755 175.12 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 110.557 -0.164 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -63.55 -52.47 60.97 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 176.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 2.7 pp -91.3 158.44 16.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 173.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 66.7 tp -154.2 135.73 14.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.625 0.25 . . . . 0.0 110.55 -175.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 285' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' B' ' 285' ' ' ARG . 41.7 mtt180 -58.98 120.15 8.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.883 177.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 28.2 pt -77.6 130.27 36.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.317 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 287' ' ' ALY . . . . . 0.507 ' HE2' HD22 ' A' ' 86' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -76.29 65.38 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.403 0.621 . . . . 0.0 111.688 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -103.92 30.33 5.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.299 -0.864 . . . . 0.0 108.682 170.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 74.2 mt -85.6 94.33 9.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.291 -175.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -79.32 87.87 4.98 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 9.2 p . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.324 -0.846 . . . . 0.0 110.931 -177.479 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.471 ' HB2' ' HZ3' ' A' ' 2' ' ' LYS . 0.1 OUTLIER 60.77 38.62 18.01 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.665 0.386 . . . . 0.0 110.962 177.396 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 83.2 mt 72.69 123.84 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.952 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.2 t -77.22 171.05 15.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.303 173.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -55.44 -47.7 75.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.978 0.418 . . . . 0.0 110.609 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 1.4 mp0 -57.55 -40.07 78.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.205 179.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.631 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 96.4 mt -79.37 -25.3 42.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.36 -177.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -71.29 -37.65 71.85 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 173.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.431 ' O ' HG13 ' A' ' 13' ' ' ILE . 1.8 t60 -70.6 -35.13 72.83 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.846 177.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.631 ' SG ' ' HA ' ' A' ' 7' ' ' LEU . 14.2 p -69.89 -29.18 66.31 Favored 'General case' 0 C--N 1.334 -0.07 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.989 177.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -67.95 -39.73 83.35 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.187 0.518 . . . . 0.0 109.738 176.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.01 -42.31 52.3 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.542 -0.753 . . . . 0.0 112.542 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.544 HG12 ' HB3' ' A' ' 106' ' ' ARG . 94.1 mt -61.64 -45.19 99.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.948 0.404 . . . . 0.0 110.443 177.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.58 HD11 ' HG3' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -58.94 -44.11 91.33 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.257 177.42 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -56.56 -36.86 69.78 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.783 177.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.42 -47.25 76.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.366 -178.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.4 mt -69.15 -24.86 64.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.234 0.54 . . . . 0.0 109.842 -178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 18' ' ' LEU . 73.0 mt -88.32 -9.97 51.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.743 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.6 m -68.94 143.7 54.37 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.126 0.489 . . . . 0.0 110.948 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.492 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 31.4 mmtm -58.42 -20.03 41.27 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.004 177.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -55.72 -35.83 66.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.172 173.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -111.72 -12.5 13.86 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.025 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.492 ' HB1' ' HA ' ' A' ' 20' ' ' LYS . . . -48.86 -34.29 12.29 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -176.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.19 -18.39 15.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.873 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -144.95 21.92 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.072 0.463 . . . . 0.0 110.778 176.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.471 ' CB ' HD13 ' A' ' 99' ' ' LEU . . . -119.74 -11.66 9.35 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.586 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.564 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.4 p-90 -57.04 -35.92 40.9 Favored Pre-proline 0 CA--C 1.546 0.794 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -175.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 2.8 Cg_endo -55.23 -21.59 29.17 Favored 'Trans proline' 0 C--N 1.368 1.57 0 C-N-CA 121.481 1.454 . . . . 0.0 113.293 177.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.406 ' CD1' HD12 ' A' ' 99' ' ' LEU . 4.8 m-85 -108.59 -10.18 15.25 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -171.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -54.47 -52.53 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.232 -0.187 . . . . 0.0 111.108 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -134.63 160.27 69.07 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.192 177.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.495 ' HD3' ' OD2' ' A' ' 52' ' ' ASP . 13.8 Cg_endo -56.27 146.67 70.89 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.635 2.223 . . . . 0.0 111.258 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.467 HG12 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -62.98 143.63 15.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.883 -177.249 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -83.54 68.89 9.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.118 -176.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 40' ' ' LEU . . . -53.87 -33.05 55.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.59 -176.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 m -61.4 -39.86 92.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.033 0.444 . . . . 0.0 110.948 177.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.73 -25.13 21.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.251 0.548 . . . . 0.0 110.943 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.455 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 36.4 mt -83.73 -4.96 59.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.395 -177.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.42 8.74 87.08 Favored Glycine 0 C--N 1.33 0.196 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.986 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 13.4 mt -86.2 80.45 8.76 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.296 0.569 . . . . 0.0 110.823 -177.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -70.81 -15.67 62.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.402 -176.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.68 22.82 14.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -173.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -64.81 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.942 -177.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -86.15 1.28 51.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.853 0.359 . . . . 0.0 111.158 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -92.64 -45.78 7.91 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.711 HG21 ' CD1' ' A' ' 47' ' ' ILE . 1.9 mp -75.19 -44.2 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.374 179.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.711 ' CD1' HG21 ' A' ' 46' ' ' ILE . 14.7 mm -94.74 108.28 20.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.975 -174.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 25.0 mmtp -89.61 -22.82 22.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.677 -176.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.3 m170 -123.66 60.12 18.55 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.739 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.09 111.98 2.38 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.547 2.165 . . . . 0.0 112.628 -177.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.507 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 30.8 tpp -134.45 152.09 51.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.561 -178.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.536 ' O ' HG21 ' A' ' 56' ' ' VAL . 5.5 p-10 -138.89 162.92 33.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.635 178.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.3 mt -63.44 -35.74 81.44 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -175.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.8 t -64.42 -40.7 96.28 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.766 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.507 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 21.3 m -72.9 -32.95 65.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.425 0.155 . . . . 0.0 111.063 177.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.536 HG21 ' O ' ' A' ' 52' ' ' ASP . 86.8 t -60.04 -46.25 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.336 0.589 . . . . 0.0 109.417 175.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.58 ' HG3' HD11 ' A' ' 14' ' ' LEU . 19.8 tttt -65.48 -42.32 92.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.853 177.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -54.4 -50.53 67.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.096 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -71.86 -31.91 66.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.723 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.498 ' HE1' ' SG ' ' A' ' 10' ' ' CYS . 26.7 ttm -62.55 -39.0 92.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.236 172.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 48.8 mt-10 -67.6 -31.71 71.94 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.941 0.401 . . . . 0.0 110.96 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.402 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -80.48 -1.81 43.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.495 0.664 . . . . 0.0 109.392 177.591 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 58.01 35.13 24.97 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 114.181 -1.372 . . . . 0.0 111.587 175.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.45 -22.76 61.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.106 173.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.521 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -81.23 143.48 32.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.187 179.487 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.519 ' HB3' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -108.97 -27.86 9.44 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.727 0.299 . . . . 0.0 110.363 176.393 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -143.24 165.39 27.58 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.922 0.392 . . . . 0.0 110.022 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.438 ' HB1' ' HE1' ' A' ' 110' ' ' MET . . . -72.08 -16.12 62.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.248 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -68.89 -39.05 79.97 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.519 ' OE1' ' HB3' ' A' ' 66' ' ' ARG . 44.4 mt-10 -66.74 -33.49 75.76 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.164 176.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.588 ' CG ' ' HB2' ' A' ' 10' ' ' CYS . 6.1 t80 -64.23 -53.55 47.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.766 172.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.61 -40.86 66.07 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.158 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.71 -46.43 81.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.287 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.45 -50.7 43.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.972 0.415 . . . . 0.0 111.532 -177.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.567 HG11 ' O ' ' A' ' 71' ' ' PHE . 2.6 p -66.38 -41.25 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.616 -176.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -69.79 -28.48 65.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.851 0.358 . . . . 0.0 110.327 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -43.12 99.38 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.0 tmm? -57.99 -48.97 78.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.967 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -59.8 -38.99 83.49 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.21 0.529 . . . . 0.0 110.717 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' A' ' 84' ' ' LYS . 48.7 m -62.04 -37.74 86.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.036 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -64.65 -34.32 78.01 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.106 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.4 t -64.31 -47.23 80.21 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.412 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -69.8 -21.26 63.41 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.341 0.591 . . . . 0.0 110.172 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -79.89 -31.49 40.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.668 -178.127 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.64 ' HD2' ' ND2' ' A' ' 86' ' ' ASN . 69.6 t80 -93.13 -58.33 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.236 0.541 . . . . 0.0 111.319 178.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.64 ' ND2' ' HD2' ' A' ' 85' ' ' TYR . 9.8 m120 -77.38 140.23 64.73 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.687 -172.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -64.0 153.7 74.47 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 121.999 1.799 . . . . 0.0 110.298 170.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.408 ' O ' HG22 ' A' ' 93' ' ' VAL . 8.9 Cg_endo -49.72 -21.42 5.61 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 124.411 3.407 . . . . 0.0 114.596 -170.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -120.82 94.95 4.51 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.496 0.665 . . . . 0.0 110.871 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.587 ' O ' HG21 ' A' ' 93' ' ' VAL . 6.2 t-80 -157.97 157.83 33.77 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.411 ' HB3' ' HE2' ' A' ' 95' ' ' MET . 1.6 m-20 -55.39 -40.79 71.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 118.593 0.633 . . . . 0.0 112.622 -176.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.453 HG21 ' HD1' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -68.06 -32.52 56.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -173.637 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.587 HG21 ' O ' ' A' ' 90' ' ' HIS . 17.9 m -74.34 -32.66 31.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.306 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.94 -42.03 77.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.051 176.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.411 ' HE2' ' HB3' ' A' ' 91' ' ' ASP . 54.6 mtm -67.67 -33.85 75.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.225 176.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.31 -45.08 81.56 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.535 178.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 67.5 mtm180 -60.87 -45.69 93.55 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.898 0.38 . . . . 0.0 111.287 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 101' ' ' ASP . 83.2 tttt -69.07 -43.26 74.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.956 -175.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -66.05 -28.4 68.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.02 173.479 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.469 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 26.0 tp60 -60.78 -38.97 87.1 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 174.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 6.4 m-20 -58.27 -57.27 13.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.159 177.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 103' ' ' PHE . 1.8 p -59.77 -50.26 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.394 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.429 ' H ' HG12 ' A' ' 102' ' ' VAL . 5.1 t80 -58.4 -43.91 88.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.648 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -71.7 -31.97 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.438 -176.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -68.87 -39.32 79.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.368 0.604 . . . . 0.0 109.889 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.544 ' HB3' HG12 ' A' ' 13' ' ' ILE . 79.9 mmt-85 -62.38 -47.24 85.01 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.225 177.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -72.55 -29.69 63.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.646 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.16 -35.51 81.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.624 0.25 . . . . 0.0 111.599 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -90.63 -16.6 28.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 110.669 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.438 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 2.0 tmt? -65.74 122.81 82.58 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.655 176.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -88.19 147.75 6.59 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.648 2.232 . . . . 0.0 113.031 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 . . . . . 0 C--O 1.247 0.926 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.75 177.73 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 12.9 p80 . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.934 0.397 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -143.46 -175.51 4.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 7.8 mp -68.81 -42.62 77.02 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.569 -0.901 . . . . 0.0 108.569 170.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 284' ' ' LEU . . . . . 0.481 ' HG ' ' H ' ' B' ' 285' ' ' ARG . 29.5 tp -161.61 179.41 8.2 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 175.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 285' ' ' ARG . . . . . 0.481 ' H ' ' HG ' ' B' ' 284' ' ' LEU . 54.9 mtt180 -59.9 110.03 1.08 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 171.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 286' ' ' ILE . . . . . 0.4 HG22 ' O ' ' B' ' 284' ' ' LEU . 33.0 pt -95.55 14.2 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -171.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 287' ' ' ALY . . . . . 0.558 ' HE2' HD22 ' A' ' 86' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -83.89 61.73 6.56 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.12 0.486 . . . . 0.0 111.589 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -103.42 22.55 14.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.176 176.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 49.4 tp -89.92 -55.4 3.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.417 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 62.08 54.1 2.8 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.366 0.603 . . . . 0.0 110.609 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.215 -0.898 . . . . 0.0 109.406 179.565 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 112.094 -0.402 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -91.94 158.95 15.99 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.508 ' HG ' ' CZ ' ' A' ' 63' ' ' ARG . 93.2 mt -97.12 99.43 10.93 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 170.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.1 t -77.63 -179.1 5.67 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 177.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -52.05 -37.89 55.19 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -174.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.403 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 19.4 mt-30 -73.17 -44.65 59.61 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.823 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.556 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 96.7 mt -73.48 -25.51 60.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.286 0.565 . . . . 0.0 110.816 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -73.13 -35.51 66.53 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 173.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.46 ' O ' HG13 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -70.38 -36.54 74.18 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.827 176.608 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.585 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 13.1 p -68.1 -30.24 69.36 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 178.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -65.63 -41.92 92.09 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 121.254 0.549 . . . . 0.0 109.752 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.57 -39.39 49.66 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.828 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.51 HG12 ' HB3' ' A' ' 106' ' ' ARG . 90.9 mt -63.8 -47.56 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.987 0.422 . . . . 0.0 110.225 178.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.569 HD11 ' HG3' ' A' ' 57' ' ' LYS . 1.5 tt -58.75 -47.31 85.11 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.621 177.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -56.24 -39.52 72.67 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.472 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -61.83 -47.72 83.78 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.595 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.65 -23.16 66.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.131 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' A' ' 18' ' ' LEU . 78.9 mt -91.89 -8.23 47.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.959 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.8 m -75.57 147.87 39.32 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.103 0.478 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -56.91 -24.63 53.64 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.888 -176.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -56.45 -31.96 64.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.542 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -113.08 -12.22 13.22 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.832 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.0 -34.24 20.49 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -176.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.66 -25.52 39.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.969 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -137.75 20.13 2.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.965 0.412 . . . . 0.0 110.695 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.461 ' CB ' HD13 ' A' ' 99' ' ' LEU . . . -116.25 -14.54 11.08 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.502 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.595 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.0 p-90 -55.8 -34.27 24.02 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -176.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 2.4 Cg_endo -55.4 -22.43 33.97 Favored 'Trans proline' 0 C--N 1.368 1.584 0 C-N-CA 121.655 1.57 . . . . 0.0 113.163 176.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.412 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 3.4 m-85 -110.82 -7.52 14.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -172.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -56.87 -53.42 58.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.633 0.254 . . . . 0.0 110.504 175.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -137.19 159.11 71.03 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.685 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.504 ' HD3' ' OD1' ' A' ' 52' ' ' ASP . 11.2 Cg_endo -54.85 148.56 45.78 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 123.286 2.657 . . . . 0.0 112.616 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.561 HG12 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -70.26 145.49 12.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.053 -178.36 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -84.05 66.7 9.36 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.916 -176.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.22 -46.42 45.8 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.1 -173.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.4 t -57.19 -36.2 70.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.169 0.509 . . . . 0.0 110.648 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.1 -33.81 38.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.017 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.479 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -88.85 3.26 51.83 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.961 -179.224 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.7 14.84 77.07 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.389 177.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.488 HD12 ' HCA' ' B' ' 287' ' ' ALY . 8.4 mt -87.98 87.92 7.49 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.108 0.48 . . . . 0.0 109.957 -178.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -84.6 4.14 33.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.378 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -123.68 17.17 9.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.194 -175.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -68.58 -40.02 80.72 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 122.087 -0.383 . . . . 0.0 111.548 -173.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -84.11 2.35 39.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.777 0.322 . . . . 0.0 111.325 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -95.56 -44.7 7.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.238 175.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.443 HG23 ' HE3' ' A' ' 84' ' ' LYS . 1.9 mp -73.72 -52.85 19.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.124 178.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.587 HD13 ' HB2' ' A' ' 85' ' ' TYR . 22.2 mm -82.63 108.73 15.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.11 -175.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 25.0 mmtp -88.47 -24.94 22.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.271 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -119.75 68.48 11.82 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.579 175.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -70.97 104.29 1.49 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.111 1.874 . . . . 0.0 111.921 176.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.544 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 31.8 tpp -129.55 150.32 50.94 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.378 -179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.504 ' OD1' ' HD3' ' A' ' 32' ' ' PRO . 3.1 p30 -138.78 163.57 31.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.631 178.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.494 ' HG ' ' HE2' ' A' ' 78' ' ' MET . 41.3 mt -63.61 -36.46 83.89 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -174.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 t -65.23 -33.12 75.25 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.832 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.544 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 16.8 m -78.84 -34.97 44.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.76 -0.2 . . . . 0.0 110.955 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 52' ' ' ASP . 99.3 t -59.75 -46.97 92.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 175.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.569 ' HG3' HD11 ' A' ' 14' ' ' LEU . 8.3 tttm -65.29 -39.76 92.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.814 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -55.59 -52.65 63.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.192 177.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -70.64 -30.36 66.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.527 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.443 ' HE1' ' SG ' ' A' ' 10' ' ' CYS . 26.6 ttm -64.54 -38.8 92.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.207 171.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 46.8 mt-10 -67.08 -29.36 69.11 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.961 0.41 . . . . 0.0 111.054 179.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.74 -6.06 54.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.425 0.631 . . . . 0.0 109.511 174.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.508 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 21.9 mmt85 59.62 35.01 22.41 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.491 -1.231 . . . . 0.0 111.057 178.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.58 -7.2 54.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.378 175.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.499 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -93.62 139.18 31.08 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.173 177.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -106.94 -27.36 10.73 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.92 0.39 . . . . 0.0 110.371 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -144.35 157.41 44.27 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -176.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.405 ' HB1' ' HE1' ' A' ' 110' ' ' MET . . . -69.83 -13.61 62.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.159 0.504 . . . . 0.0 110.186 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.29 -34.98 75.53 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.317 174.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -71.18 -30.9 66.99 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.866 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.585 ' CG ' ' HB2' ' A' ' 10' ' ' CYS . 7.2 t80 -66.49 -51.42 56.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.869 171.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.32 -36.72 66.53 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.607 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 77' ' ' LEU . . . -57.82 -49.33 77.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.748 175.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.421 ' HB3' HG22 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -68.71 -52.33 32.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.899 -178.041 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.568 HG11 ' O ' ' A' ' 71' ' ' PHE . 3.7 p -66.27 -41.91 89.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -174.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -70.91 -28.2 64.35 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.422 -0.511 . . . . 0.0 109.953 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -64.53 -33.99 77.2 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-O 121.08 0.467 . . . . 0.0 110.301 174.816 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.623 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 10.7 tmm? -63.99 -52.22 60.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.565 177.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -60.77 -34.93 75.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.985 0.422 . . . . 0.0 110.622 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.7 t -62.07 -48.19 81.33 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.103 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.623 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 10.8 p30 -67.85 -26.3 65.97 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.853 -177.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 62.2 m -64.19 -46.98 81.58 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 122.4 -0.188 . . . . 0.0 111.043 177.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -67.76 -24.05 65.3 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.126 0.488 . . . . 0.0 110.472 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.443 ' HE3' HG23 ' A' ' 46' ' ' ILE . 62.9 tttp -68.27 -47.28 68.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.651 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.587 ' HB2' HD13 ' A' ' 47' ' ' ILE . 66.7 t80 -76.87 -54.91 5.98 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.35 -175.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -88.55 132.16 39.76 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.044 -170.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -63.75 155.51 63.12 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.511 2.14 . . . . 0.0 111.25 174.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -53.07 -23.63 22.65 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 124.305 3.337 . . . . 0.0 114.642 -169.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -106.01 74.52 1.05 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.024 0.44 . . . . 0.0 109.889 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.708 ' O ' HG21 ' A' ' 93' ' ' VAL . 13.7 t-80 -155.37 141.98 18.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.869 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.47 ' HB3' ' HE2' ' A' ' 95' ' ' MET . 14.3 m-20 -49.59 -43.9 46.65 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -172.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.486 HG21 ' HD1' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -67.14 -22.4 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -172.525 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.708 HG21 ' O ' ' A' ' 90' ' ' HIS . 10.5 m -81.34 -32.33 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.104 -0.638 . . . . 0.0 109.767 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.94 -44.33 63.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.457 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.47 ' HE2' ' HB3' ' A' ' 91' ' ' ASP . 59.2 mtm -63.74 -33.55 75.91 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.938 176.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.06 -32.5 72.01 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.568 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -76.3 -42.37 45.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.966 0.412 . . . . 0.0 110.948 -176.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.493 ' O ' ' HB3' ' A' ' 101' ' ' ASP . 84.9 tttt -68.81 -41.22 78.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.652 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.461 HD13 ' CB ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -67.31 -28.62 68.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.065 172.903 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.53 -38.13 86.28 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 174.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.547 ' O ' ' HD1' ' A' ' 105' ' ' PHE . 8.0 t70 -58.35 -57.85 11.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.952 177.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.517 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.6 p -59.18 -51.55 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.301 -178.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.44 ' H ' HG12 ' A' ' 102' ' ' VAL . 5.9 t80 -57.6 -41.22 80.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.662 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 101' ' ' ASP . 6.2 pt-20 -66.87 -38.94 87.28 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.866 -176.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.547 ' HD1' ' O ' ' A' ' 101' ' ' ASP . 51.4 m-85 -73.55 -28.03 61.65 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.161 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.517 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 14.6 mmt180 -68.19 -48.73 64.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.045 0.45 . . . . 0.0 110.019 176.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -67.02 -31.07 71.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.479 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.74 -39.36 84.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.578 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -81.83 -13.96 56.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.872 0.367 . . . . 0.0 111.054 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.405 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 3.8 tmm? -70.17 120.44 78.21 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.403 174.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -89.27 160.39 5.64 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.778 2.319 . . . . 0.0 112.784 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.5 t70 . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.743 -0.646 . . . . 0.0 110.164 -179.599 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 68.7 m80 . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 120.901 0.382 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -98.59 -36.46 9.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.862 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -101.06 87.41 3.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.131 0.491 . . . . 0.0 110.893 -178.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 76.2 mt -91.95 154.85 18.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.959 176.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 285' ' ' ARG . . . . . 0.418 ' HD2' ' N ' ' B' ' 285' ' ' ARG . 2.7 mpt_? -76.23 88.01 3.08 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 286' ' ' ILE . . . . . 0.452 HD13 ' H ' ' B' ' 286' ' ' ILE . 0.2 OUTLIER -50.61 130.57 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.417 0.627 . . . . 0.0 111.737 -177.521 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 287' ' ' ALY . . . . . 0.561 ' NZ ' HG12 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -83.27 67.52 9.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.46 0.648 . . . . 0.0 110.872 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -102.29 24.67 9.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.59 174.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.66 130.69 42.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.038 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 56.42 57.12 5.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.45 0.643 . . . . 0.0 110.644 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.424 -0.798 . . . . 0.0 110.599 -179.857 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.599 -0.6 . . . . 0.0 111.599 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -84.91 87.83 7.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.881 0.341 . . . . 0.0 110.48 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 72.9 mt 65.76 106.73 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.566 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 m -64.57 166.95 7.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.01 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -53.49 -45.55 69.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.312 . . . . 0.0 111.658 -173.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -60.67 -40.54 92.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.521 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.6 mt -74.91 -31.62 61.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.4 -176.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -66.28 -38.29 87.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.873 0.368 . . . . 0.0 110.056 176.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.435 ' O ' HG13 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -65.96 -32.43 73.92 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.58 ' SG ' ' HA ' ' A' ' 68' ' ' ALA . 79.0 m -63.19 -43.6 97.73 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.337 176.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -56.87 -39.28 74.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.438 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.64 -42.52 47.01 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.846 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 9' ' ' HIS . 83.3 mt -64.44 -49.12 82.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.387 . . . . 0.0 110.527 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.685 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.2 tt -57.03 -43.16 81.64 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.496 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -58.09 -37.47 74.56 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -69.18 -49.67 54.53 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.128 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.5 mt -60.47 -22.91 64.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.096 0.474 . . . . 0.0 110.039 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.5 mt -90.68 -15.43 30.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.014 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -68.88 146.29 52.95 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.96 0.41 . . . . 0.0 110.588 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -56.56 -19.43 15.75 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.384 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -53.49 -39.42 64.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.473 173.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.402 ' HB3' HD21 ' A' ' 99' ' ' LEU . 97.9 m-70 -107.45 -14.85 14.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.729 -176.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.37 -35.03 7.66 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -175.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.93 -22.53 26.61 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.003 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -141.76 18.01 2.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.998 0.428 . . . . 0.0 110.686 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.471 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -115.87 -14.19 11.32 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.259 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.61 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 69.5 p-90 -56.36 -34.17 23.75 Favored Pre-proline 0 CA--C 1.548 0.9 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -176.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -54.22 -22.15 25.05 Favored 'Trans proline' 0 C--N 1.372 1.769 0 C-N-CA 121.782 1.654 . . . . 0.0 113.015 176.568 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.596 ' CD1' HD12 ' A' ' 99' ' ' LEU . 2.2 m-85 -111.59 -8.42 14.23 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -172.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -55.4 -54.91 37.77 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.204 -0.198 . . . . 0.0 110.635 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -133.58 159.43 72.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.176 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.505 ' HD3' ' OD2' ' A' ' 52' ' ' ASP . 19.5 Cg_endo -58.71 144.37 98.0 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.542 2.162 . . . . 0.0 111.312 178.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.587 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 1.0 OUTLIER -63.61 149.48 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.542 -175.641 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -86.16 66.47 9.58 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.67 -44.94 66.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.124 -0.944 . . . . 0.0 113.065 -167.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 m -60.3 -44.92 94.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.763 0.316 . . . . 0.0 110.695 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.33 -29.82 64.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.955 0.407 . . . . 0.0 110.706 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.467 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 34.8 mt -75.9 -7.24 54.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.2 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.17 4.16 84.28 Favored Glycine 0 C--N 1.33 0.24 0 N-CA-C 111.576 -0.61 . . . . 0.0 111.576 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.517 HD11 ' HCA' ' B' ' 287' ' ' ALY . 8.6 mt -93.25 71.87 4.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.96 -174.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -79.41 7.67 7.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.93 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -117.98 23.11 11.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.204 0.526 . . . . 0.0 110.493 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -74.86 -38.48 61.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.568 -174.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -77.26 -13.36 59.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.857 0.36 . . . . 0.0 111.14 -176.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.33 -45.9 18.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.627 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -77.69 -44.32 29.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.995 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.5 HD11 ' HB2' ' A' ' 85' ' ' TYR . 17.2 mm -86.89 107.39 16.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.769 0.319 . . . . 0.0 111.031 -177.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -90.53 -25.02 20.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.393 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -123.45 72.5 49.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.836 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.71 100.07 0.48 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.121 1.881 . . . . 0.0 111.436 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.546 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 31.6 tpp -129.97 146.28 51.66 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.462 -178.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.528 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.0 p-10 -138.63 165.2 27.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.363 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.1 mt -63.57 -33.54 75.82 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.438 ' HB2' ' OD1' ' A' ' 52' ' ' ASP . 66.9 m -64.9 -40.39 95.01 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.211 -0.196 . . . . 0.0 110.921 178.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.546 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 18.7 m -74.04 -34.22 64.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.865 -0.152 . . . . 0.0 111.016 177.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 52' ' ' ASP . 84.4 t -59.68 -45.62 94.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.515 0.674 . . . . 0.0 109.381 174.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.685 ' HG3' HD13 ' A' ' 14' ' ' LEU . 19.2 tttt -67.85 -41.93 82.15 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.186 177.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -52.3 -54.63 28.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.86 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HB3' ' HE2' ' A' ' 65' ' ' TYR . 42.6 mtpt -63.0 -39.24 94.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.624 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 13.4 ttm -60.97 -40.66 94.23 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 54.7 mt-10 -64.47 -32.25 73.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.114 0.483 . . . . 0.0 110.637 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -81.45 -1.83 47.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.438 0.637 . . . . 0.0 109.599 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 58.74 33.3 22.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.483 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.91 -14.71 60.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.947 177.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.53 ' CE1' ' HA ' ' A' ' 71' ' ' PHE . 1.8 m-30 -84.27 139.66 32.19 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 176.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -98.78 -31.61 11.79 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.819 0.343 . . . . 0.0 110.424 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.408 ' OD1' ' HB3' ' A' ' 69' ' ' GLN . 2.0 p30 -147.43 172.79 13.38 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 121.1 0.476 . . . . 0.0 111.055 -176.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.58 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . . . -73.81 -16.15 61.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.702 -177.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.408 ' HB3' ' OD1' ' A' ' 67' ' ' ASP . 50.5 tp60 -72.05 -38.64 69.45 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 177.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -65.63 -35.55 81.13 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.243 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.706 ' O ' HG12 ' A' ' 75' ' ' VAL . 8.6 t80 -63.73 -53.75 46.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.514 173.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 76' ' ' ARG . . . -53.37 -41.02 65.45 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 123.705 0.628 . . . . 0.0 110.294 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.84 -48.75 78.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.416 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.98 -43.4 65.18 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -176.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.706 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.4 p -67.51 -40.98 85.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.906 -178.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 2.3 ptp180 -70.9 -28.65 64.68 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.164 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -32.67 74.24 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.98 0.419 . . . . 0.0 110.081 175.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.491 ' SD ' ' HB3' ' A' ' 29' ' ' PHE . 12.5 tmm? -63.72 -51.88 63.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.351 175.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -60.93 -34.13 74.23 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 110.687 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.5 m -65.7 -45.24 83.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.695 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.494 ' HB2' HG23 ' A' ' 47' ' ' ILE . 1.2 p-10 -66.43 -29.47 69.62 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.395 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.535 ' SG ' HH32 ' B' ' 287' ' ' ALY . 60.7 m -60.16 -44.74 94.77 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.865 175.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -71.41 -24.14 62.0 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.487 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -64.54 -46.22 83.79 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.488 0.661 . . . . 0.0 110.273 176.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.5 ' HB2' HD11 ' A' ' 47' ' ' ILE . 59.8 t80 -80.45 -60.62 2.25 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.802 -171.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -85.8 128.28 59.13 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.8 -170.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -65.58 157.85 56.23 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.424 2.083 . . . . 0.0 110.953 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.12 -19.96 13.1 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 124.221 3.281 . . . . 0.0 113.854 -173.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -101.12 68.43 1.24 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.3 0.571 . . . . 0.0 109.686 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.533 ' O ' HG22 ' A' ' 93' ' ' VAL . 4.0 t-80 -154.78 156.78 36.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.378 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.74 -43.0 99.7 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -22.14 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -170.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 19.7 m -82.4 -36.41 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.351 -0.539 . . . . 0.0 110.095 177.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.32 -39.55 81.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.398 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 57.2 mtm -68.06 -36.67 80.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.159 175.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.94 -41.38 91.37 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.695 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 77.2 mtp180 -61.46 -45.48 94.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.751 0.31 . . . . 0.0 111.225 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -67.96 -50.58 54.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.758 -177.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.596 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -60.61 -28.43 68.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.787 175.057 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -67.42 -35.19 78.76 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -61.89 -55.07 33.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.47 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.481 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.9 p -57.74 -54.01 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.263 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -56.83 -36.61 70.17 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.684 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.3 -47.44 82.26 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 120.853 0.358 . . . . 0.0 110.086 -177.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.487 ' O ' ' HE3' ' A' ' 109' ' ' LYS . 87.8 m-85 -75.95 -23.2 55.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.403 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 37.2 mmt180 -66.15 -47.03 75.4 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 174.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -71.35 -30.15 65.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.199 177.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 105' ' ' PHE . . . -67.85 -33.4 74.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.161 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.487 ' HE3' ' O ' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -80.58 -26.94 37.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.983 0.42 . . . . 0.0 109.972 177.203 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -64.64 120.11 63.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.353 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -84.93 145.82 10.12 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.217 1.944 . . . . 0.0 111.84 176.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.583 -0.722 . . . . 0.0 109.811 -177.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -54.64 -43.31 72.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.474 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 57.2 tp -164.96 -74.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.657 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 84.4 mt 56.79 -101.45 0.13 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.225 -173.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 52.3 mtp85 -139.49 139.5 36.98 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 27.5 pt -102.1 137.67 29.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.903 0.383 . . . . 0.0 110.344 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 287' ' ' ALY . . . . . 0.587 ' NZ ' HG11 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -80.22 62.15 4.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.525 0.679 . . . . 0.0 110.688 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -109.88 26.04 11.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.069 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 6.5 mp -75.72 104.66 6.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.624 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 58.43 79.8 0.2 Allowed 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.773 0.671 . . . . 0.0 110.409 -175.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.767 -0.635 . . . . 0.0 110.578 -179.626 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 111.818 -0.513 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 55.06 50.25 15.77 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 122.598 0.359 . . . . 0.0 111.303 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.4 mt 67.33 113.33 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.739 0.65 . . . . 0.0 111.523 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.5 t -71.95 171.57 11.55 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 173.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -53.83 -46.6 71.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 111.121 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.598 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 14.6 mp0 -56.06 -46.45 78.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.494 177.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.57 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 93.3 mt -76.54 -25.97 54.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.978 0.418 . . . . 0.0 111.488 -176.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -71.01 -37.65 72.63 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 173.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.431 ' O ' HG13 ' A' ' 13' ' ' ILE . 1.5 t60 -69.76 -35.06 74.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.995 178.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.584 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 13.9 p -69.56 -29.42 66.98 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.948 0.404 . . . . 0.0 110.099 177.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -66.46 -40.69 89.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.487 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.14 -39.28 53.51 Favored Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.437 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.52 HG12 ' HB3' ' A' ' 106' ' ' ARG . 87.1 mt -62.13 -49.91 82.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.727 0.298 . . . . 0.0 110.592 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.669 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.3 tt -55.96 -45.92 78.75 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.349 177.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -54.21 -37.32 64.42 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.481 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.713 ' OE1' ' HD3' ' A' ' 106' ' ' ARG . 30.6 tt0 -74.9 -41.47 59.67 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.737 -174.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.61 -22.49 66.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.0 mt -91.56 -15.98 27.85 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.879 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.3 m -70.78 146.94 49.45 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.208 0.528 . . . . 0.0 110.772 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -59.63 -14.79 15.1 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.535 -173.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -58.91 -38.35 78.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.886 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -106.51 -15.46 14.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.694 -176.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.409 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -47.61 -33.09 6.22 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -175.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.7 -28.93 58.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.637 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -135.28 19.31 3.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.066 0.46 . . . . 0.0 110.723 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.465 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -114.75 -14.78 11.97 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.176 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.609 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 67.6 p-90 -54.62 -34.83 26.05 Favored Pre-proline 0 CA--C 1.547 0.83 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -177.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.2 Cg_endo -54.06 -24.53 33.11 Favored 'Trans proline' 0 C--N 1.367 1.537 0 C-N-CA 121.713 1.609 . . . . 0.0 113.208 177.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CD1' HD12 ' A' ' 99' ' ' LEU . 2.2 m-85 -110.65 -7.92 14.64 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -171.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -54.36 -57.15 12.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.738 0.304 . . . . 0.0 110.835 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -132.47 162.54 56.47 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.584 -177.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.8 145.36 50.54 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 123.014 2.476 . . . . 0.0 112.112 177.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.524 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -68.29 148.18 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.81 -179.211 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -86.43 66.43 9.51 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.21 -32.47 64.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.559 -170.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.2 m -67.34 -40.17 85.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.882 0.373 . . . . 0.0 110.674 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.88 -23.89 33.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.229 0.538 . . . . 0.0 110.835 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.7 mt -81.9 -4.4 56.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.351 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.77 2.87 88.85 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.179 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.447 HD11 ' HG2' ' B' ' 287' ' ' ALY . 13.1 mt -84.09 83.61 7.9 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.141 0.496 . . . . 0.0 110.708 -177.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -73.37 -13.92 61.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.874 -177.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -114.31 24.23 12.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.634 -172.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -67.91 -44.27 77.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.719 0.295 . . . . 0.0 111.516 -175.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -75.02 -16.44 60.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.878 0.371 . . . . 0.0 110.892 -177.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.35 -44.54 44.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.231 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -79.43 -46.22 23.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.413 -178.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.648 HD11 ' HB2' ' A' ' 85' ' ' TYR . 11.9 mm -85.26 99.56 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.778 0.323 . . . . 0.0 111.305 -175.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -69.06 -37.01 78.28 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.633 174.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -120.49 72.34 20.1 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.578 -175.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.42 107.4 1.78 Allowed 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 121.996 1.797 . . . . 0.0 112.068 176.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.603 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 32.9 tpp -132.96 149.35 52.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.605 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.458 ' O ' HG23 ' A' ' 56' ' ' VAL . 4.3 p30 -139.02 164.44 29.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.501 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.1 mt -63.37 -34.59 78.06 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.216 0.451 . . . . 0.0 112.216 -175.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.2 m -65.05 -36.71 85.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.629 0.252 . . . . 0.0 110.937 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.603 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 19.2 m -76.16 -34.8 59.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.057 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 52' ' ' ASP . 94.4 t -60.45 -46.9 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.469 0.652 . . . . 0.0 109.29 175.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.669 ' HG3' HD13 ' A' ' 14' ' ' LEU . 10.5 tttm -64.61 -41.74 95.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.757 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -52.91 -53.46 48.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.134 177.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -71.51 -28.35 63.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.797 -177.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 29.3 ttm -66.47 -37.74 85.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.161 172.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 65.3 mt-10 -67.98 -30.88 70.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -81.98 -3.96 55.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.325 0.583 . . . . 0.0 109.452 175.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 60.6 32.03 20.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.689 -1.142 . . . . 0.0 111.975 176.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -30.49 71.57 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.414 0.625 . . . . 0.0 110.246 176.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.523 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -74.63 143.38 44.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.793 -175.27 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.461 ' NE ' ' HA ' ' A' ' 66' ' ' ARG . 6.2 mmp_? -101.05 -30.48 11.59 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.797 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -144.74 164.95 29.47 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -175.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.598 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -70.34 -17.41 63.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.312 0.577 . . . . 0.0 109.971 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.36 -38.46 78.1 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.444 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.94 -32.13 72.36 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.972 176.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.632 ' O ' HG12 ' A' ' 75' ' ' VAL . 4.4 t80 -64.45 -52.51 57.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.668 172.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.612 ' O ' ' HB3' ' A' ' 76' ' ' ARG . . . -55.43 -40.38 71.44 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.476 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.73 -42.84 79.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.367 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -80.21 -45.5 17.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.282 -174.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.632 HG12 ' O ' ' A' ' 71' ' ' PHE . 3.0 p -67.79 -37.64 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 120.811 0.339 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.612 ' HB3' ' O ' ' A' ' 72' ' ' ALA . 8.1 ttm180 -68.9 -34.05 74.77 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.01 -33.31 71.82 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.503 175.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.473 ' SD ' ' HB3' ' A' ' 29' ' ' PHE . 11.6 tmm? -64.5 -53.52 46.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.645 176.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -59.5 -33.23 71.09 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.088 0.47 . . . . 0.0 110.71 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.4 m -64.44 -50.89 65.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.735 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.501 ' HA ' ' HB2' ' A' ' 84' ' ' LYS . 1.3 p-10 -64.72 -25.36 67.9 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.561 -177.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 69.1 m -62.4 -47.3 84.73 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.649 175.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -72.22 -24.35 61.38 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.138 0.494 . . . . 0.0 110.481 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.501 ' HB2' ' HA ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -71.23 -28.38 64.14 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.305 -178.472 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.648 ' HB2' HD11 ' A' ' 47' ' ' ILE . 80.0 t80 -96.75 -59.78 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.807 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -82.36 134.4 48.58 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.512 -170.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -66.62 153.57 77.5 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.589 2.193 . . . . 0.0 111.33 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.89 -20.16 34.97 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.944 3.096 . . . . 0.0 113.857 -172.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -98.25 62.6 1.51 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.287 0.565 . . . . 0.0 110.13 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.502 ' O ' HG22 ' A' ' 93' ' ' VAL . 3.7 t-80 -147.47 163.76 35.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.508 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -72.86 -39.46 66.46 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -23.05 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.399 -173.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 90' ' ' HIS . 18.8 m -82.08 -34.47 12.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.878 177.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.88 -43.58 79.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.387 176.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.404 ' SD ' ' HG3' ' A' ' 28' ' ' PRO . 56.8 mtm -67.55 -32.26 72.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.901 177.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.81 -41.89 78.04 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.724 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 60.2 mtt180 -62.38 -46.84 86.79 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.974 0.416 . . . . 0.0 111.048 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 101' ' ' ASP . 59.5 tttp -67.15 -47.02 72.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.03 -177.051 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.604 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -63.99 -29.87 70.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.864 174.165 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -65.76 -35.78 81.68 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 98' ' ' LYS . 6.4 t70 -59.59 -53.44 57.99 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.191 177.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 99' ' ' LEU . 1.5 p -63.1 -52.71 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.434 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -54.31 -38.62 66.16 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.246 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -69.18 -42.98 75.14 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -64.69 -32.48 74.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.075 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.713 ' HD3' ' OE1' ' A' ' 16' ' ' GLU . 5.4 mmm180 -64.82 -48.16 75.39 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.665 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -73.64 -26.03 60.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.847 0.356 . . . . 0.0 110.269 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.87 -34.54 78.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.803 0.335 . . . . 0.0 110.977 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.474 ' NZ ' ' HB2' ' A' ' 109' ' ' LYS . 2.3 ttmp? -82.07 -22.37 36.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.255 0.55 . . . . 0.0 110.0 177.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -74.75 120.04 79.64 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.349 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -88.73 145.93 5.7 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.301 2.001 . . . . 0.0 113.359 177.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.248 1.007 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.859 177.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 44.8 m80 . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 282' ' ' ASN . . . . . 0.468 HD22 HD12 ' B' ' 286' ' ' ILE . 3.8 m-20 -93.34 93.22 8.07 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 7.9 mp -73.21 -35.59 66.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.153 0.501 . . . . 0.0 110.157 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 79.1 mt -100.68 160.68 14.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.688 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -74.15 131.84 41.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.32 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 286' ' ' ILE . . . . . 0.673 HD13 ' H ' ' B' ' 286' ' ' ILE . 0.2 OUTLIER -89.09 132.41 33.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.592 179.502 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 287' ' ' ALY . . . . . 0.524 ' NZ ' HG11 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -78.23 58.97 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.298 0.571 . . . . 0.0 111.466 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -98.6 53.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.857 175.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 290' ' ' LEU . . . . . 0.681 ' H ' HD23 ' B' ' 290' ' ' LEU . 0.8 OUTLIER -83.81 76.15 10.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.443 0.64 . . . . 0.0 109.602 179.28 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -71.18 -16.36 62.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.814 -177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 12.7 m . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.636 -0.697 . . . . 0.0 109.892 178.87 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -104.66 151.18 24.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.95 0.405 . . . . 0.0 111.45 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.422 ' HG ' ' CZ ' ' A' ' 63' ' ' ARG . 68.5 mt -97.08 100.63 12.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.965 172.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.4 m -63.89 171.27 2.9 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.025 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -55.1 -40.79 70.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.932 0.396 . . . . 0.0 110.924 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -60.54 -43.22 97.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.358 176.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.54 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 88.0 mt -78.61 -28.06 45.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.184 0.516 . . . . 0.0 111.674 -174.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -72.4 -32.52 66.45 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 173.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -69.44 -38.66 77.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.773 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.544 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 13.9 p -68.27 -30.21 69.19 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.754 0.312 . . . . 0.0 110.286 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -61.63 -45.7 92.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.007 174.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.09 -41.95 92.33 Favored Glycine 0 C--N 1.33 0.226 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.485 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.515 HG12 ' HB3' ' A' ' 106' ' ' ARG . 96.0 mt -62.21 -49.26 84.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.967 0.413 . . . . 0.0 110.474 178.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.669 HD13 ' HG3' ' A' ' 57' ' ' LYS . 0.9 OUTLIER -60.03 -46.11 90.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.891 179.171 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -57.57 -39.73 77.38 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.68 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -67.88 -45.96 73.01 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.732 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.68 -23.49 66.13 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.791 177.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.6 mt -91.17 -12.49 35.25 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.299 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.5 m -75.59 151.18 37.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.34 0.591 . . . . 0.0 111.616 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -56.89 -22.79 39.92 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.637 -174.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -57.08 -36.82 71.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.979 0.419 . . . . 0.0 111.077 175.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -107.04 -13.57 15.15 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.581 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.423 ' O ' ' HD1' ' A' ' 27' ' ' TRP . . . -48.11 -35.24 11.07 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -176.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.18 -25.92 48.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.04 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -138.59 16.93 2.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.015 0.436 . . . . 0.0 110.939 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.451 ' C ' ' HD2' ' A' ' 28' ' ' PRO . . . -113.43 -12.73 12.92 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.076 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.622 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 66.9 p-90 -55.19 -33.92 20.99 Favored Pre-proline 0 CA--C 1.545 0.77 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.2 Cg_endo -53.56 -25.76 34.12 Favored 'Trans proline' 0 C--N 1.368 1.589 0 C-N-CA 121.747 1.631 . . . . 0.0 113.19 176.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.547 ' CD1' HD12 ' A' ' 99' ' ' LEU . 1.9 m-85 -111.56 -8.19 14.25 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -170.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -54.42 -53.94 47.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.71 0.29 . . . . 0.0 111.025 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -134.82 157.39 77.25 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.769 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.487 ' HD3' ' CG ' ' A' ' 52' ' ' ASP . 19.4 Cg_endo -58.08 138.7 87.31 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.698 2.265 . . . . 0.0 111.359 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.65 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.8 OUTLIER -61.14 148.14 9.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.718 -173.58 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -91.67 72.39 5.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.802 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.578 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -54.9 -31.52 60.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.488 -175.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.7 m -59.22 -49.83 76.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.115 0.484 . . . . 0.0 110.317 175.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.45 -26.48 46.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.989 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.3 mt -83.91 -9.69 58.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.7 -175.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.12 10.55 82.5 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.303 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.578 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 11.4 mt -91.18 98.56 11.81 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.693 0.283 . . . . 0.0 110.284 -178.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -85.58 -6.59 59.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.719 0.295 . . . . 0.0 111.289 -175.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -125.9 25.31 6.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.742 0.306 . . . . 0.0 111.801 -172.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -67.8 -43.68 79.13 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.811 0.338 . . . . 0.0 111.357 -175.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -79.86 -1.45 39.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.496 -175.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -94.1 -42.73 8.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.53 175.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -75.21 -44.38 43.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.998 0.428 . . . . 0.0 110.04 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.602 HD11 ' HB2' ' A' ' 85' ' ' TYR . 13.3 mm -91.77 103.11 14.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.479 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 24.9 mmtp -87.81 -25.75 23.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.773 0.321 . . . . 0.0 111.264 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -117.32 68.47 5.23 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.124 175.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.56 98.94 1.08 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.232 1.955 . . . . 0.0 112.348 176.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.44 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 29.0 tpp -120.09 149.02 42.87 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.042 178.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.545 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.5 p-10 -138.03 160.11 40.24 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.666 -177.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.8 mt -62.56 -37.74 87.34 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -173.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.4 p -63.58 -39.39 94.26 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.263 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.44 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 21.3 m -73.55 -34.92 65.41 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.512 0.196 . . . . 0.0 110.955 178.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 52' ' ' ASP . 86.3 t -57.63 -45.91 86.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.669 ' HG3' HD13 ' A' ' 14' ' ' LEU . 9.0 tttm -67.69 -40.11 84.39 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.535 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -54.22 -51.33 64.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.886 176.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -69.65 -29.21 66.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.667 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 ttm -67.07 -39.73 86.89 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 172.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.22 -29.42 69.67 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 178.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -79.04 -5.36 53.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.496 0.665 . . . . 0.0 109.627 176.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.422 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 17.6 mmt85 56.63 41.84 27.88 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.369 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -80.84 -25.79 37.47 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.741 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.504 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -75.64 142.36 42.61 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.941 177.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -112.5 -23.41 10.29 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.431 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -144.59 162.71 35.95 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.89 -15.56 61.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.318 -178.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -72.89 -31.52 64.74 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 176.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -70.44 -34.94 73.03 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.421 174.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.627 ' O ' HG12 ' A' ' 75' ' ' VAL . 6.3 t80 -64.73 -52.15 58.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.573 172.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.448 ' HA ' ' CG1' ' A' ' 75' ' ' VAL . . . -52.8 -39.29 62.23 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.45 178.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.52 78.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.169 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.18 -48.12 58.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.68 -177.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.6 p -66.16 -41.63 89.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.467 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 7.1 ptp180 -67.79 -30.7 70.2 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -35.0 79.4 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.137 176.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.547 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 12.1 tmm? -62.38 -53.15 59.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.669 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -59.71 -36.25 76.16 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.984 0.421 . . . . 0.0 110.716 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.7 m -62.19 -51.62 67.07 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.806 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.547 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 11.1 p30 -64.66 -29.02 70.01 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.536 -176.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.557 ' SG ' HH32 ' B' ' 287' ' ' ALY . 62.6 m -59.23 -46.29 88.87 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.825 -0.171 . . . . 0.0 110.903 175.049 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -68.81 -24.99 64.46 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.482 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -74.22 -36.79 63.96 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.934 -178.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.602 ' HB2' HD11 ' A' ' 47' ' ' ILE . 88.3 t80 -81.96 -53.2 6.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.993 0.425 . . . . 0.0 111.281 -177.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -90.39 131.77 37.43 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.965 -171.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.26 154.26 53.68 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.567 2.178 . . . . 0.0 111.274 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.88 -19.96 16.53 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 124.107 3.204 . . . . 0.0 113.725 -173.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -104.89 78.83 1.45 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.59 ' O ' HG22 ' A' ' 93' ' ' VAL . 11.6 t-80 -157.78 155.46 29.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.441 178.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -56.8 -47.73 79.57 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -32.66 57.66 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -172.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 90' ' ' HIS . 12.6 m -76.07 -35.29 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.062 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.84 -40.72 79.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.394 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 55.5 mtm -68.58 -33.82 74.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.151 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.83 -40.59 88.02 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.138 177.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.491 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 99.5 mtt180 -61.66 -48.6 80.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.516 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 101' ' ' ASP . 61.3 tttp -67.17 -44.62 79.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.202 0.525 . . . . 0.0 110.946 -176.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.547 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -64.54 -27.72 69.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.142 173.76 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.491 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 41.2 tt0 -62.8 -40.36 97.12 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 174.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 6.2 m-20 -55.87 -58.52 7.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 177.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.635 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.7 p -58.03 -56.51 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.482 -178.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -54.74 -36.45 64.8 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -69.47 -46.6 66.3 Favored 'General case' 0 N--CA 1.44 -0.967 0 O-C-N 122.26 -0.275 . . . . 0.0 110.265 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -61.88 -32.82 73.21 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.034 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.635 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 26.5 mmt180 -67.9 -50.23 57.42 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.488 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -68.77 -31.06 69.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.16 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.38 -35.76 81.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.99 0.424 . . . . 0.0 111.076 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -18.78 53.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.35 0.595 . . . . 0.0 109.855 176.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.409 ' HE2' ' O ' ' A' ' 111' ' ' PRO . 1.8 tmt? -81.89 125.75 76.91 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.735 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.409 ' O ' ' HE2' ' A' ' 110' ' ' MET . 91.6 Cg_endo -90.59 146.39 4.03 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 122.448 2.099 . . . . 0.0 112.485 173.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 C--O 1.25 1.088 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.535 -179.896 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 66.8 m80 . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.74 0.305 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -80.18 61.71 4.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 111.274 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -162.3 156.03 20.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.46 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 68.5 mt -108.23 136.29 48.14 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.065 0.459 . . . . 0.0 110.338 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -67.31 140.99 57.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.291 176.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 19.8 pt -89.64 137.61 21.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.896 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 287' ' ' ALY . . . . . 0.65 ' NZ ' HG11 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -82.25 62.36 5.93 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.408 0.623 . . . . 0.0 110.666 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -104.97 50.37 0.79 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.799 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 290' ' ' LEU . . . . . 0.472 ' H ' HD23 ' B' ' 290' ' ' LEU . 2.1 pt? -128.8 163.52 25.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.774 178.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -59.09 -54.93 41.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.814 0.34 . . . . 0.0 111.05 -175.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.642 -0.694 . . . . 0.0 109.936 -179.288 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.713 -0.555 . . . . 0.0 111.713 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt 67.37 165.88 0.23 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 112.145 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.62 ' HG ' ' NH1' ' A' ' 63' ' ' ARG . 61.7 mt -118.78 110.69 17.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.608 175.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 m -66.48 177.68 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.815 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -54.25 -48.68 70.86 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.001 0.429 . . . . 0.0 111.073 -177.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.448 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 1.1 mp0 -63.33 -40.72 98.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.591 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.573 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 82.6 mt -77.81 -19.48 54.89 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.162 0.506 . . . . 0.0 110.92 -178.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -48.47 52.15 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-O 121.731 0.777 . . . . 0.0 109.432 170.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -60.58 -35.43 76.06 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.401 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.62 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 13.4 p -70.34 -29.5 66.21 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.407 -0.517 . . . . 0.0 109.985 177.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -67.32 -41.73 84.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.207 0.527 . . . . 0.0 109.725 175.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.25 -41.84 84.93 Favored Glycine 0 C--N 1.33 0.245 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.758 -178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.438 HG12 ' HB3' ' A' ' 106' ' ' ARG . 98.4 mt -62.65 -51.41 72.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.978 0.418 . . . . 0.0 110.527 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.662 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.2 tt -56.09 -46.92 78.87 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.036 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -56.31 -38.75 71.72 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.943 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' CD ' ' HE ' ' A' ' 106' ' ' ARG . 20.8 tt0 -71.41 -45.25 63.2 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.851 -176.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.16 -21.97 65.49 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 176.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -91.32 -15.3 29.3 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.109 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.0 m -69.19 149.12 48.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.15 0.5 . . . . 0.0 111.072 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -60.35 -17.14 41.3 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.763 -175.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -56.92 -41.21 77.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.094 0.473 . . . . 0.0 110.766 173.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -104.65 -16.55 14.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.602 -175.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.16 -34.81 6.57 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -176.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.71 -23.22 40.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.037 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -139.51 16.36 2.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 178.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.46 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -114.24 -14.09 12.31 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.201 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.59 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.2 p-90 -55.78 -34.64 26.79 Favored Pre-proline 0 CA--C 1.545 0.752 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -175.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 2.4 Cg_endo -54.81 -22.54 30.03 Favored 'Trans proline' 0 C--N 1.366 1.473 0 C-N-CA 121.55 1.5 . . . . 0.0 113.22 176.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.679 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 4.2 m-85 -107.25 -11.82 15.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.645 -173.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -55.82 -55.88 27.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.89 0.376 . . . . 0.0 110.988 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -131.85 157.69 77.5 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.499 -174.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -54.15 135.21 63.69 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.611 2.207 . . . . 0.0 112.144 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.457 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 1.0 OUTLIER -60.06 141.89 16.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.676 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -85.04 68.24 10.48 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -174.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.494 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -50.45 -41.38 52.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.095 -174.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.7 m -59.9 -40.29 88.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.784 0.326 . . . . 0.0 111.322 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.63 -18.9 31.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.981 0.42 . . . . 0.0 111.17 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.406 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 36.8 mt -88.61 -1.09 57.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.172 -179.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.29 0.6 83.8 Favored Glycine 0 C--N 1.329 0.161 0 C-N-CA 121.161 -0.542 . . . . 0.0 112.144 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.494 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 10.7 mt -83.3 90.37 7.13 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.848 0.356 . . . . 0.0 110.294 -177.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -85.11 2.29 44.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.01 0.433 . . . . 0.0 109.962 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -121.07 16.39 11.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.334 -173.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -68.09 -41.62 81.58 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.914 -0.491 . . . . 0.0 111.207 -174.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -79.87 -4.73 53.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.819 0.342 . . . . 0.0 111.322 -176.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -88.43 -40.62 13.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.019 0.437 . . . . 0.0 110.289 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 mp -80.74 -50.57 16.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.453 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' ' 85' ' ' TYR . 17.0 mm -78.31 113.9 18.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.528 -177.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -94.4 -24.16 17.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.046 0.451 . . . . 0.0 111.603 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -121.99 68.4 25.75 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.817 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.77 110.58 2.38 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.069 1.846 . . . . 0.0 111.831 176.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.534 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 29.2 tpp -135.52 150.65 49.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.104 -176.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 56' ' ' VAL . 1.3 m-20 -136.31 148.52 47.98 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -177.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.5 mt -56.36 -37.93 70.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 118.268 0.485 . . . . 0.0 111.749 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.1 m -64.47 -31.15 72.24 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.687 0.279 . . . . 0.0 110.825 177.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.534 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 2.2 m -80.93 -35.27 32.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.466 179.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 52' ' ' ASP . 99.2 t -60.13 -46.93 93.84 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.662 ' HG3' HD13 ' A' ' 14' ' ' LEU . 12.7 tttm -64.77 -41.79 95.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.807 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -55.22 -51.37 66.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.276 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -71.33 -31.87 67.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.59 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 27.5 ttm -61.82 -38.98 90.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.889 0.375 . . . . 0.0 110.158 171.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 48.6 mt-10 -64.92 -33.87 77.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -81.37 3.71 23.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.564 0.697 . . . . 0.0 109.664 176.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.62 ' NH1' ' HG ' ' A' ' 3' ' ' LEU . 2.3 mmt85 55.76 30.97 16.64 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.64 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -67.05 -16.91 64.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.494 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.544 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -91.07 136.07 33.33 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.946 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.493 ' HB2' ' OE1' ' A' ' 70' ' ' GLU . 4.8 mmp_? -97.25 -29.55 13.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.613 0.244 . . . . 0.0 110.562 177.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -144.68 163.33 34.3 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 6' ' ' GLN . . . -68.74 -17.98 64.15 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.328 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -66.99 -38.96 86.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.595 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.493 ' OE1' ' HB2' ' A' ' 66' ' ' ARG . 44.4 mt-10 -68.3 -33.65 74.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.259 177.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.62 ' CG ' ' HB2' ' A' ' 10' ' ' CYS . 3.6 t80 -64.3 -52.17 59.87 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 171.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.402 ' HA ' ' CG1' ' A' ' 75' ' ' VAL . . . -56.14 -34.91 66.57 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.596 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.4 77.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.995 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.49 -49.21 67.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.85 -177.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.8 p -65.18 -40.71 89.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 111.503 -177.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -71.12 -31.16 67.4 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.359 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 77' ' ' LEU . 5.0 mt -60.52 -38.74 85.36 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.212 0.53 . . . . 0.0 110.356 175.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.679 ' SD ' ' HB3' ' A' ' 29' ' ' PHE . 43.0 ttp -58.65 -50.59 73.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.179 175.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -65.37 -37.24 86.43 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.906 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.3 m -60.16 -45.55 92.7 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.549 ' HB2' HD12 ' A' ' 47' ' ' ILE . 10.3 p30 -67.63 -27.58 67.0 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.837 -177.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 64.5 m -62.95 -45.75 90.98 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.708 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -73.57 -24.96 60.16 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.094 0.473 . . . . 0.0 110.165 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 81' ' ' ASN . 2.9 ttpp -68.85 -34.38 75.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.073 -178.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.561 ' HB2' HD11 ' A' ' 47' ' ' ILE . 72.7 t80 -88.47 -59.69 2.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.122 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -81.4 136.11 49.56 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.06 -170.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -66.58 164.48 28.72 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.906 2.404 . . . . 0.0 112.059 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -42.9 -40.28 8.24 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 124.347 3.365 . . . . 0.0 114.795 -171.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -112.19 90.79 3.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.193 0.52 . . . . 0.0 111.057 -177.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.653 ' O ' HG22 ' A' ' 93' ' ' VAL . 6.8 t-80 -150.73 157.04 42.47 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.6 -41.96 82.29 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -176.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -21.7 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.944 0.349 . . . . 0.0 111.944 -173.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 90' ' ' HIS . 12.8 m -84.52 -34.31 9.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.278 -0.569 . . . . 0.0 109.688 176.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.74 -42.73 94.97 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.393 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 57.3 mtm -70.51 -33.31 71.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.353 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.26 -44.17 76.18 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.142 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 54.6 mtt180 -65.16 -41.44 94.67 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 111.475 -177.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -66.44 -46.74 75.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.192 0.52 . . . . 0.0 111.016 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.554 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -63.44 -27.1 69.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.3 174.337 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.652 ' O ' ' HB2' ' A' ' 104' ' ' GLU . 55.7 tp60 -64.55 -36.49 84.39 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -61.58 -49.39 76.84 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.722 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.602 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.5 p -64.43 -56.15 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.283 178.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -54.17 -38.62 65.78 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.652 ' HB2' ' O ' ' A' ' 100' ' ' GLN . 0.7 OUTLIER -59.27 -53.03 62.92 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.845 0.355 . . . . 0.0 111.22 177.146 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -65.35 -33.58 76.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.99 -175.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 29.0 mmt180 -66.32 -47.85 72.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.457 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -71.88 -24.18 61.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.236 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.77 -44.82 65.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.849 0.357 . . . . 0.0 110.82 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -70.14 -21.61 63.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.407 ' HE2' ' HG3' ' A' ' 6' ' ' GLN . 2.0 tmt? -65.27 115.64 23.41 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.886 178.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -90.47 154.61 4.41 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.761 2.308 . . . . 0.0 112.053 176.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.041 178.964 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 44.1 m80 . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 43.9 t30 66.51 -79.42 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 O-C-N 124.069 0.856 . . . . 0.0 111.108 -177.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 62.7 tp -151.9 107.71 3.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.996 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 42.5 mt -99.38 141.18 32.49 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.293 0.568 . . . . 0.0 110.654 178.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -87.02 166.7 14.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.389 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 28.7 pt -120.32 3.95 6.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -172.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 287' ' ' ALY . . . . . 0.457 ' NZ ' HG11 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -85.25 57.39 4.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.267 0.555 . . . . 0.0 111.466 -178.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -99.1 128.21 45.19 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 172.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 23.6 tp 65.18 81.34 0.21 Allowed 'General case' 0 C--N 1.331 -0.201 0 O-C-N 124.001 0.813 . . . . 0.0 110.367 -174.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -109.95 148.64 31.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.276 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.522 -0.752 . . . . 0.0 110.147 178.18 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 112.123 -0.391 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -90.75 119.24 30.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.582 -0.155 . . . . 0.0 110.582 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.2 mt 66.27 110.06 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.591 0.557 . . . . 0.0 111.605 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.4 m -66.45 167.42 10.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.92 173.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -51.92 -45.04 64.11 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 111.625 -175.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.417 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 1.2 mp0 -61.29 -42.27 98.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.471 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.531 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 90.1 mt -76.25 -23.26 54.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.393 0.616 . . . . 0.0 111.018 -178.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -72.44 -37.95 68.44 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 173.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -69.01 -35.15 76.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.85 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.583 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 13.7 p -69.56 -29.5 67.09 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 120.656 -0.417 . . . . 0.0 110.176 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -66.93 -40.36 87.58 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.049 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.51 -40.76 53.49 Favored Glycine 0 N--CA 1.453 -0.233 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.616 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.527 HG12 ' HB3' ' A' ' 106' ' ' ARG . 84.7 mt -61.23 -50.67 79.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.743 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.703 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.5 tt -55.22 -46.46 75.94 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.37 178.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -57.5 -41.0 79.89 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.295 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -68.33 -43.81 76.73 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.402 -176.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.52 -24.0 67.63 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.5 mt -91.1 -10.58 41.45 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.131 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.2 m -72.03 146.89 47.34 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.955 0.407 . . . . 0.0 110.557 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HA ' ' HB2' ' A' ' 23' ' ' ALA . 71.1 mmtt -58.86 -18.82 36.15 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.761 -176.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -55.32 -40.71 71.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.083 173.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -105.18 -14.78 15.27 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.407 -176.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' A' ' 20' ' ' LYS . . . -48.59 -34.77 12.16 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -175.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.84 -29.28 40.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.468 0.48 . . . . 0.0 111.641 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -135.94 16.61 3.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.063 0.459 . . . . 0.0 111.009 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.483 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -113.71 -12.34 12.81 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.6 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.4 p-90 -56.39 -34.31 24.82 Favored Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -176.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.9 Cg_endo -55.16 -23.37 36.13 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 121.581 1.521 . . . . 0.0 113.083 177.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.672 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 1.7 m-85 -109.64 -8.22 14.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.725 -172.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -55.39 -55.02 36.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.644 0.259 . . . . 0.0 110.754 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -140.69 155.75 69.3 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.705 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.582 ' HD3' ' OD2' ' A' ' 52' ' ' ASP . 12.9 Cg_endo -54.35 143.74 64.14 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.602 2.868 . . . . 0.0 113.041 -174.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.511 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -63.97 143.17 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.911 -178.354 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -87.82 73.23 9.28 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.34 -29.61 48.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.851 -175.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.8 t -66.3 -44.95 82.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.854 0.359 . . . . 0.0 110.695 176.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.75 -25.21 35.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.258 0.552 . . . . 0.0 110.867 -178.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.427 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 36.3 mt -81.24 -11.98 59.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.395 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.79 9.37 85.58 Favored Glycine 0 N--CA 1.454 -0.116 0 C-N-CA 120.951 -0.643 . . . . 0.0 112.27 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.479 HD11 ' HG2' ' B' ' 287' ' ' ALY . 9.7 mt -84.17 94.53 8.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.986 0.422 . . . . 0.0 110.385 -177.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -85.09 -0.14 53.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.311 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -125.08 21.8 8.05 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -67.27 -39.35 86.06 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.183 -0.323 . . . . 0.0 111.511 -176.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -84.04 -1.56 55.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.969 0.414 . . . . 0.0 111.051 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -87.8 -31.36 19.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.015 0.436 . . . . 0.0 110.338 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 mp -95.93 -44.88 13.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.152 -177.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.548 HD11 ' HB2' ' A' ' 85' ' ' TYR . 16.5 mm -87.3 107.86 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.688 0.28 . . . . 0.0 111.255 -176.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.586 ' N ' ' HD2' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -87.82 -24.18 23.8 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.668 175.715 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -120.89 69.4 17.44 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.562 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.74 103.38 1.32 Allowed 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.357 2.038 . . . . 0.0 112.243 176.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.602 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 32.4 tpp -132.95 152.66 51.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.845 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.582 ' OD2' ' HD3' ' A' ' 32' ' ' PRO . 4.7 p-10 -138.99 162.14 35.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.596 177.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.5 mt -61.73 -35.08 77.05 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.4 t -68.69 -29.35 67.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.666 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.602 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 23.9 m -81.11 -35.26 31.84 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 122.385 -0.197 . . . . 0.0 111.086 175.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 52' ' ' ASP . 83.3 t -58.92 -45.19 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.678 0.751 . . . . 0.0 109.126 174.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.703 ' HG3' HD13 ' A' ' 14' ' ' LEU . 14.8 tttm -65.06 -41.02 95.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.175 178.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -56.03 -50.74 70.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.034 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -71.58 -29.26 64.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.754 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 29.4 ttm -66.16 -37.07 84.76 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 171.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 34.1 mt-10 -64.62 -32.92 74.79 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.935 0.398 . . . . 0.0 110.62 177.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -82.5 -3.29 55.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.428 0.632 . . . . 0.0 109.559 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 57.25 35.99 26.82 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 114.182 -1.372 . . . . 0.0 111.325 175.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -74.68 -15.74 60.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.55 174.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.496 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.8 OUTLIER -82.49 137.97 34.47 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.677 179.402 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -99.11 -32.16 11.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.742 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -145.0 165.82 27.08 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.903 0.382 . . . . 0.0 110.073 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.417 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -70.62 -17.57 62.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.526 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -67.35 -37.8 83.81 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 176.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -68.69 -32.17 71.79 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.037 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.614 ' O ' HG12 ' A' ' 75' ' ' VAL . 6.6 t80 -66.29 -52.15 50.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.78 171.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.437 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . . . -55.44 -38.56 69.17 Favored 'General case' 0 CA--C 1.519 -0.231 0 O-C-N 123.355 0.409 . . . . 0.0 110.675 178.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 77' ' ' LEU . . . -54.28 -48.74 70.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.642 175.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -75.89 -45.35 35.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.706 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 71' ' ' PHE . 3.4 p -69.96 -41.07 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -177.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -72.32 -27.39 62.4 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.619 -0.833 . . . . 0.0 109.599 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -62.68 -34.75 77.76 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.888 0.375 . . . . 0.0 110.032 172.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.672 ' SD ' ' HB3' ' A' ' 29' ' ' PHE . 44.3 ttp -59.69 -49.8 76.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.88 175.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -65.78 -33.05 74.96 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.847 0.356 . . . . 0.0 110.918 177.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.0 m -68.07 -43.07 79.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.78 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.523 ' HB2' HD12 ' A' ' 47' ' ' ILE . 0.8 OUTLIER -65.97 -31.95 73.15 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.279 -0.569 . . . . 0.0 110.061 179.746 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 63.4 m -60.05 -42.55 94.72 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.992 175.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -70.93 -24.06 62.37 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.323 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -68.7 -50.3 51.98 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.089 0.471 . . . . 0.0 110.358 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.548 ' HB2' HD11 ' A' ' 47' ' ' ILE . 65.5 t80 -74.02 -60.83 2.08 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.359 -172.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -81.34 130.06 63.86 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.406 -172.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -59.33 154.14 48.9 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.48 2.12 . . . . 0.0 111.019 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.58 -18.6 8.75 Favored 'Trans proline' 0 N--CA 1.477 0.542 0 C-N-CA 124.337 3.358 . . . . 0.0 114.154 -172.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -112.42 86.0 2.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.986 0.422 . . . . 0.0 110.107 174.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.618 ' O ' HG22 ' A' ' 93' ' ' VAL . 6.9 t-80 -161.11 151.09 17.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -53.44 -42.51 67.19 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -175.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.404 HG21 ' HD3' ' B' ' 287' ' ' ALY . 0.1 OUTLIER -67.5 -28.91 43.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -172.412 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 90' ' ' HIS . 13.7 m -79.36 -35.58 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.186 -0.606 . . . . 0.0 109.833 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.31 92.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.253 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 53.0 mtm -68.36 -35.83 78.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.255 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.01 -36.21 79.6 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.71 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 75.7 mtp180 -68.64 -43.44 76.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.062 0.458 . . . . 0.0 111.411 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -69.47 -46.26 67.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.992 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.6 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -62.47 -27.59 69.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.218 173.509 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.437 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 25.2 tp60 -61.79 -40.15 94.21 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 24.1 t70 -62.71 -48.17 80.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.469 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.549 HG23 ' CZ ' ' A' ' 106' ' ' ARG . 1.6 p -64.17 -54.74 27.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.776 178.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -56.11 -40.44 73.71 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.835 -0.166 . . . . 0.0 111.424 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 101' ' ' ASP . 5.6 pt-20 -68.69 -38.65 80.47 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.456 -177.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -66.53 -43.78 84.24 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.549 ' CZ ' HG23 ' A' ' 102' ' ' VAL . 1.8 mpt_? -60.1 -42.05 93.85 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.245 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.437 ' CE1' ' HB2' ' A' ' 72' ' ' ALA . 45.6 t80 -76.14 -35.91 59.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.041 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.24 -37.91 86.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.459 0.647 . . . . 0.0 110.656 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -71.12 -26.63 63.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.092 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -72.06 121.24 84.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.991 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -90.63 153.7 4.25 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.698 2.265 . . . . 0.0 112.582 174.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.271 178.109 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 281' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' B' ' 282' ' ' ASN . 98.4 m-70 . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 282' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' B' ' 281' ' ' HIS . 92.3 m-20 69.03 -76.23 0.06 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.383 -176.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 26.7 tp 52.3 47.11 25.41 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.595 0.712 . . . . 0.0 110.604 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 92.6 mt -100.32 158.29 15.99 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.06 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -85.23 167.94 15.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.189 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 39.2 pt -125.99 14.41 4.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.464 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 287' ' ' ALY . . . . . 0.511 ' NZ ' HG11 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -88.67 60.77 5.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.359 0.6 . . . . 0.0 110.455 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -96.32 68.6 2.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.105 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 29.0 tp -109.1 81.71 1.48 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.007 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.84 67.73 10.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.707 -176.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.045 -0.979 . . . . 0.0 111.116 178.389 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 66.85 155.73 0.1 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.471 0.653 . . . . 0.0 111.533 -178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.4 mt -104.09 102.62 12.36 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.828 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.1 t -79.19 -172.55 3.2 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -50.9 -48.23 60.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.877 0.37 . . . . 0.0 111.042 -176.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.579 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 15.2 mp0 -63.41 -51.51 65.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.047 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.658 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 95.9 mt -73.06 -24.0 60.63 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.932 0.396 . . . . 0.0 111.865 -175.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -73.85 -36.29 64.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 172.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.442 ' O ' HG13 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -70.17 -38.07 75.33 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.722 178.013 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.658 ' SG ' ' HA ' ' A' ' 7' ' ' LEU . 13.9 p -68.29 -31.15 70.39 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.186 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -68.36 -37.77 80.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.094 0.473 . . . . 0.0 110.02 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.73 -41.01 44.01 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.353 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 9' ' ' HIS . 88.2 mt -61.99 -49.22 85.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.953 0.406 . . . . 0.0 110.268 178.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.658 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.3 tt -56.39 -44.67 80.47 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.657 177.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -57.43 -38.19 73.99 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.246 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.638 ' OE1' ' HD3' ' A' ' 106' ' ' ARG . 31.4 tt0 -71.97 -42.23 66.78 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.515 -176.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.2 mt -63.26 -22.43 66.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.185 0.516 . . . . 0.0 109.896 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.5 mt -92.35 -14.83 28.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.829 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.8 m -68.1 148.26 51.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.271 0.557 . . . . 0.0 110.971 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -62.08 -17.0 56.16 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.194 -172.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -59.69 -38.73 82.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.087 0.47 . . . . 0.0 110.537 173.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -103.35 -16.62 15.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.422 -175.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.41 -34.07 10.28 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.877 0.735 . . . . 0.0 112.581 -177.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.57 -21.74 40.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.98 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -141.48 19.19 2.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.972 0.415 . . . . 0.0 110.841 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.452 ' C ' ' HD2' ' A' ' 28' ' ' PRO . . . -116.57 -14.24 10.88 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.342 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.614 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.5 p-90 -55.47 -34.07 22.29 Favored Pre-proline 0 CA--C 1.547 0.86 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -176.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -53.46 -23.75 25.78 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 121.736 1.624 . . . . 0.0 113.182 177.114 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.518 ' CD1' HD12 ' A' ' 99' ' ' LEU . 1.6 m-85 -110.83 -8.97 14.48 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -171.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -55.22 -57.4 11.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.685 0.278 . . . . 0.0 110.872 176.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -127.92 155.03 78.27 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -174.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -53.51 141.51 62.27 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.252 2.635 . . . . 0.0 112.295 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.55 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.8 OUTLIER -66.79 141.82 17.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.693 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -86.9 67.97 9.96 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.57 -43.8 62.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.327 -170.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.6 m -60.7 -38.93 86.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.911 0.386 . . . . 0.0 110.559 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.13 -31.14 61.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.803 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.534 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -88.99 4.55 47.82 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 119.714 -0.794 . . . . 0.0 110.862 179.319 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.25 16.54 78.2 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.767 176.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.534 ' HG ' ' HB2' ' A' ' 38' ' ' LEU . 9.5 mt -92.46 93.14 8.42 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.076 0.465 . . . . 0.0 109.855 -178.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -85.41 -7.84 58.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.227 -174.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.469 ' OD2' ' HD3' ' B' ' 285' ' ' ARG . 15.9 p30 -112.76 13.29 19.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.152 -0.477 . . . . 0.0 112.161 -175.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -62.8 -40.61 97.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -173.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -83.33 -3.51 57.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.909 0.385 . . . . 0.0 110.986 -176.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -91.57 -40.53 11.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.236 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -81.51 -47.18 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.973 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.593 HD11 ' HB2' ' A' ' 85' ' ' TYR . 20.4 mm -85.22 108.13 16.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.455 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -94.54 -19.92 20.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.703 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -123.49 67.28 37.27 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.121 175.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.04 104.94 1.44 Allowed 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.608 2.205 . . . . 0.0 112.286 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.595 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 29.8 tpp -130.33 150.42 51.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.912 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.74 148.97 49.03 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -175.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.0 mt -56.34 -42.44 77.7 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.583 0.629 . . . . 0.0 112.065 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.8 m -62.11 -28.8 69.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.668 0.271 . . . . 0.0 111.14 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.595 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 2.5 m -81.21 -35.37 31.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.701 0.286 . . . . 0.0 110.437 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.17 -47.52 93.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.466 0.651 . . . . 0.0 109.318 174.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.658 ' HG3' HD13 ' A' ' 14' ' ' LEU . 9.4 tttm -63.34 -41.18 98.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.845 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -55.78 -52.14 64.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.191 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -71.04 -28.51 64.43 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.506 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 27.2 ttm -67.2 -38.13 84.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.217 171.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 44.5 mt-10 -66.97 -30.94 71.2 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.537 178.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -79.96 -2.78 45.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.494 0.664 . . . . 0.0 109.382 176.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 56.48 34.68 24.72 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 114.374 -1.285 . . . . 0.0 111.205 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.45 -10.53 59.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.708 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.469 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 1.3 m-30 -86.92 144.77 26.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.643 178.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -98.81 -35.67 10.05 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.339 176.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -148.67 179.66 7.66 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.413 0.625 . . . . 0.0 112.065 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.579 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -75.71 -16.12 60.2 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.607 -177.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -75.66 -37.09 59.92 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -65.84 -33.44 75.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.082 0.467 . . . . 0.0 109.928 173.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.629 ' CG ' ' HB2' ' A' ' 10' ' ' CYS . 7.4 t80 -63.65 -54.76 30.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.552 172.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.808 ' O ' ' HG3' ' A' ' 76' ' ' ARG . . . -53.07 -46.42 68.56 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.976 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.77 -44.95 49.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.137 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -77.44 -46.56 22.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.452 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.6 p -66.26 -40.46 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 120.53 0.205 . . . . 0.0 111.522 -178.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.808 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 11.6 mtp180 -69.67 -33.24 72.3 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 77' ' ' LEU . 3.8 mt -59.89 -35.27 74.48 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.981 175.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.536 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . 11.9 tmm? -64.07 -51.17 65.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.959 177.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -60.26 -37.16 79.56 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.047 0.451 . . . . 0.0 110.457 176.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.1 m -64.07 -46.01 86.22 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.988 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.536 ' HB2' HD12 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -66.21 -30.86 71.4 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.65 -176.882 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 20.4 t -62.83 -44.42 96.19 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.474 176.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -66.33 -24.92 66.61 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.992 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -69.52 -48.88 59.08 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.044 0.449 . . . . 0.0 110.782 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.593 ' HB2' HD11 ' A' ' 47' ' ' ILE . 65.1 t80 -78.2 -59.18 2.89 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.993 -172.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -82.73 128.12 67.43 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.358 -172.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -61.15 153.34 65.43 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.366 2.044 . . . . 0.0 111.723 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -51.13 -19.21 5.73 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 124.74 3.627 . . . . 0.0 114.705 -172.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -110.28 66.72 0.63 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.12 0.486 . . . . 0.0 110.562 176.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.668 ' O ' HG22 ' A' ' 93' ' ' VAL . 21.5 t-80 -145.42 147.54 32.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.481 177.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -51.1 -44.17 61.23 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -174.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -26.43 38.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -172.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 90' ' ' HIS . 9.9 m -81.26 -35.31 14.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.03 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.04 -39.24 86.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.011 176.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 54.3 mtm -71.2 -35.6 71.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.445 177.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.92 -28.7 66.9 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.345 0.593 . . . . 0.0 110.086 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.456 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 41.9 ttp180 -77.08 -42.93 36.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.057 -177.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -72.76 -40.51 65.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.117 0.484 . . . . 0.0 110.612 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.518 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -65.23 -27.08 68.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 173.042 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.456 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 56.5 tp60 -61.96 -43.42 98.88 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 172.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -56.14 -48.43 76.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.545 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 99' ' ' LEU . 1.4 p -69.37 -53.61 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 121.084 -0.246 . . . . 0.0 111.554 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.511 ' CE2' ' HG2' ' A' ' 76' ' ' ARG . 5.3 t80 -55.77 -38.99 70.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.639 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -73.55 -30.82 63.29 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -176.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -69.62 -36.93 76.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.579 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.638 ' HD3' ' OE1' ' A' ' 16' ' ' GLU . 6.6 mmm180 -64.87 -51.96 59.18 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.249 178.09 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -68.97 -32.62 72.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.778 -177.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.34 81.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.956 0.408 . . . . 0.0 111.054 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -87.56 -9.49 54.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.692 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -76.24 120.5 81.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.011 173.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -83.55 147.08 12.33 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.13 1.887 . . . . 0.0 112.526 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.469 -0.777 . . . . 0.0 109.908 179.942 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 121.07 0.462 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -95.68 -43.62 7.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.242 0.544 . . . . 0.0 109.585 175.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 6.7 mp -89.95 156.05 18.7 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.171 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 62.3 tp -114.6 143.73 44.53 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 285' ' ' ARG . . . . . 0.469 ' HD3' ' OD2' ' A' ' 42' ' ' ASP . 5.7 mpt_? -73.01 143.63 47.49 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 40.2 pt -95.26 132.25 39.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.071 0.462 . . . . 0.0 109.941 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 287' ' ' ALY . . . . . 0.55 ' NZ ' HG11 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.8 65.97 3.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.637 0.732 . . . . 0.0 109.898 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -116.74 45.89 1.74 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.649 176.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 80.3 mt -74.52 85.35 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.065 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -80.27 109.69 14.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.729 -176.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.247 0.931 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.404 179.295 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 48.9 mmtm 61.95 85.34 0.12 Allowed 'General case' 0 C--O 1.234 0.278 0 C-N-CA 122.757 0.423 . . . . 0.0 110.781 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 76.5 mt 69.36 113.99 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.801 -175.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.3 t -70.16 169.63 13.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.624 175.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -53.12 -44.79 67.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.306 0.574 . . . . 0.0 110.134 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.501 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 1.6 mp0 -60.16 -42.14 94.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.33 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.573 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 93.1 mt -78.43 -26.47 46.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.518 -175.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.69 -35.64 67.7 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 174.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -71.81 -33.98 68.97 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.092 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.573 ' SG ' ' HA ' ' A' ' 7' ' ' LEU . 13.7 p -69.08 -29.42 67.51 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -67.65 -39.18 84.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.623 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.28 -42.01 58.2 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.692 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.422 HG12 ' HB3' ' A' ' 106' ' ' ARG . 97.2 mt -61.35 -49.29 85.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 0.0 110.536 178.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.693 HD13 ' HG3' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -58.04 -46.84 84.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.63 178.716 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -55.32 -37.43 67.4 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.139 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.499 ' CD ' ' HE ' ' A' ' 106' ' ' ARG . 27.4 tt0 -75.97 -42.27 48.91 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.128 -176.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.93 -21.76 66.62 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.9 mt -92.7 -11.92 32.8 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.292 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.0 p -69.3 150.13 47.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.293 0.568 . . . . 0.0 110.755 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 23' ' ' ALA . 31.4 mmtp -62.65 -14.54 44.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.853 -176.175 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -62.9 -37.15 85.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.677 175.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -104.66 -13.41 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.251 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.4 ' HB2' ' HA ' ' A' ' 20' ' ' LYS . . . -48.24 -35.74 12.58 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.77 -28.38 34.39 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.856 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -136.36 19.95 3.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.926 0.393 . . . . 0.0 110.765 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.421 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -117.47 -11.51 10.51 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.586 ' CD2' ' HD3' ' A' ' 28' ' ' PRO . 68.7 p-90 -56.3 -35.49 35.62 Favored Pre-proline 0 CA--C 1.546 0.799 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -176.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.586 ' HD3' ' CD2' ' A' ' 27' ' ' TRP . 2.4 Cg_endo -56.11 -20.24 30.06 Favored 'Trans proline' 0 C--N 1.367 1.508 0 C-N-CA 121.572 1.514 . . . . 0.0 113.427 177.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.549 ' CD1' HD12 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -112.5 -8.19 13.87 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -173.335 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -57.09 -56.0 27.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.798 0.333 . . . . 0.0 110.918 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -129.83 154.6 81.09 Favored Pre-proline 0 N--CA 1.446 -0.666 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.618 -174.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -53.99 138.08 69.73 Favored 'Trans proline' 0 C--O 1.236 0.413 0 C-N-CA 122.94 2.427 . . . . 0.0 112.257 177.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.453 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.8 OUTLIER -62.13 143.41 15.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.836 -178.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -89.14 70.5 8.37 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.831 -177.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' HB1' ' HB2' ' A' ' 40' ' ' LEU . . . -52.51 -36.68 55.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.411 -176.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.3 m -59.97 -42.22 93.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.003 0.43 . . . . 0.0 111.055 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.55 -26.01 26.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.199 0.523 . . . . 0.0 110.768 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.415 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 41.2 mt -80.99 -7.69 59.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.072 -178.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.67 7.26 88.32 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.035 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.54 HD11 ' HG2' ' B' ' 287' ' ' ALY . 9.1 mt -85.82 92.28 8.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.06 0.457 . . . . 0.0 110.15 -177.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -85.55 3.31 41.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.104 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -126.97 18.62 7.17 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -176.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -64.92 -41.28 95.69 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.074 -0.391 . . . . 0.0 111.268 -174.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -77.4 -11.51 59.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.737 -177.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -84.42 -41.97 16.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.068 0.461 . . . . 0.0 110.227 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -80.87 -43.95 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.775 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.675 HD11 ' HB2' ' A' ' 85' ' ' TYR . 13.7 mm -89.02 109.87 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.789 -178.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -92.11 -24.69 19.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.682 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -120.56 70.41 17.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.148 174.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.43 99.87 0.63 Allowed 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.517 2.145 . . . . 0.0 111.889 176.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.625 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 31.5 tpp -126.77 145.65 50.54 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.324 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -136.87 156.01 49.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.787 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.6 mt -58.24 -38.79 77.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 118.092 0.405 . . . . 0.0 111.984 -176.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.4 p -60.2 -35.62 75.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.905 0.384 . . . . 0.0 110.903 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.625 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 2.5 m -78.81 -34.33 45.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.79 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.8 t -60.65 -46.19 96.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.693 ' HG3' HD13 ' A' ' 14' ' ' LEU . 14.3 tttt -65.55 -39.37 91.66 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.14 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 55' ' ' THR . 76.1 ttt180 -53.02 -52.39 58.6 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.27 175.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -74.86 -28.05 60.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.926 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 29.6 ttm -64.66 -40.61 95.72 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.233 170.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -65.72 -29.07 69.55 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 120.978 0.418 . . . . 0.0 110.885 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -81.86 -2.0 49.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.397 0.618 . . . . 0.0 109.78 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 58.03 33.65 23.4 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.527 176.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -73.35 -20.02 60.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.288 0.566 . . . . 0.0 110.479 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.514 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.8 OUTLIER -82.98 133.19 35.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.617 -178.448 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -90.16 -34.12 15.97 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.843 0.354 . . . . 0.0 110.504 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -143.63 168.38 20.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.166 -174.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.501 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -71.76 -15.94 62.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.237 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -69.93 -36.63 75.49 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.449 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -67.54 -35.36 78.93 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.261 0.553 . . . . 0.0 109.853 174.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.645 ' O ' HG12 ' A' ' 75' ' ' VAL . 4.9 t80 -63.29 -53.19 56.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.713 172.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.49 ' HA ' ' CG1' ' A' ' 75' ' ' VAL . . . -54.69 -39.05 67.75 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.387 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.73 78.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.126 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.2 -45.05 27.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.178 -0.464 . . . . 0.0 112.035 -176.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.645 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.7 p -65.27 -40.67 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.732 0.301 . . . . 0.0 110.999 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -68.87 -31.87 71.11 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -33.13 75.25 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.479 177.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.497 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . 12.6 tmm? -63.25 -51.74 64.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.386 175.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -59.07 -34.72 72.29 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.112 0.482 . . . . 0.0 110.512 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.3 m -68.04 -46.1 72.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.033 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.529 ' HB2' HD12 ' A' ' 47' ' ' ILE . 0.8 OUTLIER -66.83 -25.91 66.66 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.556 -178.322 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 20.0 t -66.4 -46.47 76.5 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.388 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -66.23 -23.9 66.51 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.221 0.534 . . . . 0.0 110.343 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -42.55 51.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.61 -176.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.675 ' HB2' HD11 ' A' ' 47' ' ' ILE . 83.2 t80 -82.42 -52.04 7.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.967 0.413 . . . . 0.0 111.149 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -85.91 131.52 46.72 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.034 -174.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -63.31 157.16 51.65 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.412 2.075 . . . . 0.0 111.696 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -50.14 -25.13 12.42 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 124.531 3.487 . . . . 0.0 114.9 -169.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -113.81 76.67 1.0 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.256 0.55 . . . . 0.0 110.408 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.662 ' O ' HG22 ' A' ' 93' ' ' VAL . 20.8 t-80 -143.91 154.06 42.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -55.71 -41.9 74.48 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -174.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -30.03 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.734 -173.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 90' ' ' HIS . 13.6 m -76.87 -34.12 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.89 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.87 -40.67 83.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.444 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 54.9 mtm -70.43 -36.98 74.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.312 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.24 -32.43 73.85 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.441 0.639 . . . . 0.0 109.751 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.482 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 53.2 ttt180 -70.01 -45.93 66.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.159 -177.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -70.7 -41.24 72.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 110.9 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.549 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -64.76 -26.4 68.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.031 173.309 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' A' ' 104' ' ' GLU . 57.7 tp60 -64.68 -38.66 91.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 173.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -62.38 -46.7 87.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.381 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.633 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.5 p -66.36 -55.7 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.812 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -53.3 -37.81 62.58 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 123.194 0.309 . . . . 0.0 111.814 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.484 ' HB2' ' O ' ' A' ' 100' ' ' GLN . 0.7 OUTLIER -60.01 -54.72 42.65 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.841 0.353 . . . . 0.0 110.98 177.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -64.41 -32.11 73.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.766 -177.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 55.2 mmt-85 -66.19 -44.06 85.05 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.415 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -72.42 -29.18 63.49 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.714 -0.395 . . . . 0.0 109.956 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.15 -48.48 78.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 110.773 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -67.59 -29.09 68.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.347 0.594 . . . . 0.0 109.907 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -67.94 123.74 87.85 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.322 176.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -87.42 144.46 6.77 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.066 1.844 . . . . 0.0 112.439 175.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 . . . . . 0 C--O 1.248 0.974 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.573 179.667 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 36.7 m80 . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 55.19 65.13 1.57 Allowed 'General case' 0 C--N 1.332 -0.167 0 O-C-N 123.735 0.647 . . . . 0.0 110.785 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 42.2 tp -76.0 67.9 2.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.474 0.654 . . . . 0.0 109.678 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 284' ' ' LEU . . . . . 0.494 ' C ' ' HD2' ' B' ' 285' ' ' ARG . 25.7 mt -82.98 -86.97 0.1 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.335 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 285' ' ' ARG . . . . . 0.494 ' HD2' ' C ' ' B' ' 284' ' ' LEU . 7.3 mpt_? -134.51 166.17 23.5 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.785 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 35.4 pt -128.48 15.58 2.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.266 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 287' ' ' ALY . . . . . 0.54 ' HG2' HD11 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -81.17 53.01 1.92 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.658 0.742 . . . . 0.0 109.992 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -109.05 66.12 0.63 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.321 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 68.3 mt -102.25 121.35 42.08 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -81.32 63.95 5.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.599 0.714 . . . . 0.0 110.565 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 C--O 1.247 0.963 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.122 179.364 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 34.7 mmtp 62.91 67.15 0.7 Allowed 'General case' 0 C--N 1.332 -0.158 0 O-C-N 123.654 0.267 . . . . 0.0 110.473 -178.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 66.6 mt 73.88 117.19 0.05 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.534 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.6 t -65.74 164.03 15.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.272 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -53.54 -45.35 69.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.974 0.416 . . . . 0.0 111.082 -176.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -61.71 -40.4 94.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.223 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.56 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 96.8 mt -76.11 -23.74 54.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.314 0.578 . . . . 0.0 111.082 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -73.83 -34.03 64.38 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 172.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -71.68 -34.83 70.0 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.807 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.576 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 14.5 p -70.27 -31.12 68.34 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.196 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -65.15 -40.4 94.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.22 0.534 . . . . 0.0 109.888 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.26 -39.88 61.65 Favored Glycine 0 N--CA 1.451 -0.31 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.543 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.442 HG12 ' HB3' ' A' ' 106' ' ' ARG . 95.1 mt -63.13 -48.46 87.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.778 0.323 . . . . 0.0 110.665 178.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.692 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.2 tt -58.22 -44.9 88.44 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.55 178.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -58.41 -37.54 75.54 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.072 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -71.7 -41.84 68.11 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.066 -176.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.85 -21.91 66.5 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.1 mt -92.07 -10.67 38.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.997 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.4 m -69.87 149.94 47.32 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.176 0.512 . . . . 0.0 110.901 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 5.5 tmtp? -61.21 -20.95 63.38 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.151 -174.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -58.16 -35.79 72.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.189 175.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -106.8 -14.88 14.88 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.476 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.409 ' HB3' ' HD3' ' A' ' 20' ' ' LYS . . . -49.31 -34.19 15.0 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -176.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.29 -21.77 37.09 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.542 0.527 . . . . 0.0 112.021 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -141.98 20.15 2.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.931 0.396 . . . . 0.0 110.941 178.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.487 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -119.25 -14.76 9.22 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.57 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.597 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 69.5 p-90 -54.87 -36.04 40.23 Favored Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -174.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 6.9 Cg_endo -56.67 -23.31 48.57 Favored 'Trans proline' 0 C--N 1.367 1.544 0 C-N-CA 121.587 1.525 . . . . 0.0 113.094 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.556 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 2.2 m-85 -106.16 -8.38 17.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.202 -173.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -54.32 -51.26 65.24 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.585 174.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.418 ' NZ ' ' HB2' ' A' ' 31' ' ' LYS . 9.6 mtmp? -139.94 155.72 70.85 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.582 -177.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.96 139.67 60.34 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.594 2.863 . . . . 0.0 112.902 -177.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.84 143.39 14.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 177.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -85.31 62.79 7.71 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.26 -43.91 43.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.013 -0.994 . . . . 0.0 112.567 -170.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.9 m -61.8 -39.12 90.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.896 0.379 . . . . 0.0 111.317 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.79 -26.65 34.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.318 0.58 . . . . 0.0 110.635 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.45 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 38.4 mt -75.99 -9.53 58.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.041 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.15 8.83 77.88 Favored Glycine 0 N--CA 1.452 -0.238 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.503 HD11 ' HG2' ' B' ' 287' ' ' ALY . 6.3 mt -95.49 83.8 3.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.282 -0.459 . . . . 0.0 110.256 -176.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -84.64 0.9 48.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.108 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -107.59 8.5 29.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.275 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -68.6 -44.52 74.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -169.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -83.22 5.15 23.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.922 0.391 . . . . 0.0 111.362 -177.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -98.53 -44.41 6.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.482 174.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -74.48 -48.7 34.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.68 HD12 ' HB2' ' A' ' 81' ' ' ASN . 32.8 mm -87.74 105.98 15.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.986 -176.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 24.7 mmtp -86.2 -24.23 26.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.954 179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -121.16 69.03 18.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.576 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -70.19 109.36 2.38 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.348 2.032 . . . . 0.0 111.457 173.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.605 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 30.5 tpp -133.18 149.66 52.03 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.162 -179.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.8 m-20 -138.11 152.84 49.14 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -177.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.579 ' HG ' ' HE1' ' A' ' 78' ' ' MET . 36.5 mt -54.67 -39.8 68.43 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 118.182 0.446 . . . . 0.0 111.71 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.4 p -57.04 -42.96 81.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.957 0.408 . . . . 0.0 110.839 176.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.605 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 3.6 m -74.88 -34.45 62.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 52' ' ' ASP . 99.5 t -60.06 -47.12 93.11 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.366 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.692 ' HG3' HD13 ' A' ' 14' ' ' LEU . 11.2 tttm -66.36 -41.58 89.27 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.909 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -54.63 -51.82 64.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.066 177.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -70.06 -28.65 65.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.581 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 27.7 ttm -68.19 -36.33 79.4 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 173.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.414 ' OE1' ' HA ' ' A' ' 61' ' ' GLU . 6.0 mm-40 -66.94 -32.13 73.17 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.432 178.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -82.62 -0.89 49.18 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 56.72 35.45 26.2 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.384 -1.28 . . . . 0.0 111.415 175.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -13.14 61.77 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.234 174.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.473 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 1.3 m-30 -87.16 137.01 32.71 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.246 -176.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -95.65 -31.02 13.46 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.891 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -152.85 179.49 8.61 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.051 0.453 . . . . 0.0 110.653 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.27 -17.86 53.89 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.651 -177.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -70.39 -36.42 74.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.419 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -69.95 -31.7 69.57 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.86 176.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.637 ' O ' HG12 ' A' ' 75' ' ' VAL . 6.2 t80 -65.56 -52.5 51.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.614 171.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.07 -42.03 65.43 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.067 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.97 -46.37 78.63 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.377 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.67 -51.0 38.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.552 -178.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.7 p -66.8 -40.15 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.724 -176.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -69.23 -29.18 67.06 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.004 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 mt -65.49 -35.26 80.37 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.535 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.579 ' HE1' ' HG ' ' A' ' 53' ' ' LEU . 4.4 ttp -61.74 -47.38 85.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.93 175.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -66.31 -37.05 84.5 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.677 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.3 m -64.09 -47.09 81.42 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.72 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.68 ' HB2' HD12 ' A' ' 47' ' ' ILE . 0.7 OUTLIER -66.73 -29.14 69.05 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.596 -176.221 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.421 ' SG ' ' HB ' ' A' ' 92' ' ' VAL . 15.6 t -63.18 -45.16 93.08 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.654 175.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.98 -23.93 66.68 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.564 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -74.36 -48.48 27.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.85 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.604 ' HB2' HD11 ' A' ' 47' ' ' ILE . 77.5 t80 -74.82 -50.56 16.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.303 0.573 . . . . 0.0 110.898 -177.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -97.84 131.75 26.17 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.026 -168.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.77 155.66 69.05 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.767 2.312 . . . . 0.0 111.471 176.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.38 -20.21 11.12 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 124.273 3.315 . . . . 0.0 114.021 -173.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -98.91 77.52 2.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.98 0.419 . . . . 0.0 110.367 176.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -161.03 169.58 22.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.96 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -67.76 -51.14 52.62 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.656 0.265 . . . . 0.0 111.585 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.421 ' HB ' ' SG ' ' A' ' 82' ' ' CYS . 3.7 m -63.36 -29.11 46.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -172.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.0 m -77.85 -33.9 19.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.92 0.39 . . . . 0.0 110.165 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.59 -40.86 69.6 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.974 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.437 ' HE1' ' HG3' ' A' ' 28' ' ' PRO . 52.2 mtm -71.03 -35.68 72.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.529 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 100' ' ' GLN . . . -69.82 -24.18 63.43 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 121.08 0.467 . . . . 0.0 109.838 177.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 42.2 ttm180 -79.53 -44.67 20.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -71.96 -42.26 66.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.579 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.506 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -64.84 -28.76 69.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.615 172.748 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.521 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 6.3 tp-100 -60.98 -40.89 95.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 174.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.12 -50.85 71.57 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.468 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.476 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.6 p -63.79 -54.56 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.246 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -56.26 -41.87 76.49 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.72 -27.36 62.96 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.493 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -74.25 -40.03 62.63 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 25.3 mmm180 -64.64 -39.26 93.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.669 -178.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -77.27 -34.2 55.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.58 -34.34 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.226 0.536 . . . . 0.0 110.539 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -79.13 -20.99 47.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.937 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -72.13 122.37 87.19 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.829 173.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -86.33 149.69 9.11 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.318 2.012 . . . . 0.0 112.73 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 31.4 t70 . . . . . 0 C--O 1.248 0.978 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.827 178.956 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 39.9 m80 . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -71.84 -62.63 1.35 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.206 -173.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.78 -62.43 1.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.725 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 24.3 mt -138.48 172.7 12.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.204 0.526 . . . . 0.0 110.769 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 285' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' B' ' 285' ' ' ARG . 7.2 mpt_? -107.18 156.56 18.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 33.8 pt -115.84 16.08 7.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -173.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 287' ' ' ALY . . . . . 0.503 ' HG2' HD11 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -83.08 59.49 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.328 0.585 . . . . 0.0 110.379 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -114.03 121.72 44.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.124 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 52.77 52.67 13.51 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.703 0.627 . . . . 0.0 110.015 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -81.65 70.02 8.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.675 -176.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.243 -0.884 . . . . 0.0 108.755 176.633 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 111.759 -0.537 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -121.54 168.4 11.78 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.785 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 3.9 mt 61.2 21.86 12.26 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.7 t 48.86 -170.11 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.828 0.823 . . . . 0.0 112.663 178.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -86.49 -49.73 7.37 Favored 'General case' 0 C--N 1.316 -0.856 0 O-C-N 121.897 -0.502 . . . . 0.0 110.179 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.53 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 1.6 mp0 -61.55 -45.51 93.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.785 ' HB2' ' O ' ' A' ' 3' ' ' LEU . 88.9 mt -75.52 -31.62 60.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.705 -175.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -64.22 -35.52 81.1 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.565 -0.709 . . . . 0.0 109.862 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -71.6 -34.86 70.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.971 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.602 ' SG ' ' HA ' ' A' ' 7' ' ' LEU . 14.5 p -71.11 -30.06 66.04 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.993 178.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -63.5 -41.59 98.52 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.008 176.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.86 -41.09 56.51 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.404 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.28 -50.21 81.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.34 . . . . 0.0 110.685 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.684 HD13 ' HG3' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -55.98 -49.27 74.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.642 178.255 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -53.05 -39.59 63.36 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.956 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -71.18 -45.3 63.71 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.487 -175.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.79 -22.49 66.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.771 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.4 ' CD1' ' HD2' ' A' ' 57' ' ' LYS . 47.6 mt -92.21 -9.97 40.3 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.159 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -75.23 147.92 39.91 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.271 0.558 . . . . 0.0 111.183 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HA ' ' CB ' ' A' ' 23' ' ' ALA . 30.4 mmtp -57.9 -22.22 47.38 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 114.96 -1.018 . . . . 0.0 112.058 -175.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -53.7 -39.38 65.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.199 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -106.25 -14.82 15.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.501 -177.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 20' ' ' LYS . . . -49.75 -33.19 15.51 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -175.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.82 -22.74 26.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.739 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -141.67 20.31 2.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.898 0.38 . . . . 0.0 110.819 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.455 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -117.14 -13.58 10.53 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.559 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.599 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 69.4 p-90 -56.27 -34.56 26.62 Favored Pre-proline 0 CA--C 1.548 0.9 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -176.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.3 Cg_endo -55.13 -17.32 14.6 Favored 'Trans proline' 0 C--N 1.372 1.776 0 C-N-CA 121.747 1.631 . . . . 0.0 113.375 176.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CD1' HD12 ' A' ' 99' ' ' LEU . 2.0 m-85 -114.35 -9.46 12.78 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -56.25 -54.41 45.62 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.695 0.283 . . . . 0.0 111.184 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -133.44 160.21 69.52 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.32 146.92 70.1 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.611 2.207 . . . . 0.0 111.998 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.413 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.8 OUTLIER -68.3 146.31 12.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.478 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -89.17 69.2 8.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.899 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.446 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -55.2 -30.33 59.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.132 -174.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.3 m -68.88 -39.48 79.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.76 0.314 . . . . 0.0 110.783 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.8 -21.25 29.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.189 0.519 . . . . 0.0 111.057 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.458 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 41.7 mt -85.45 -11.06 55.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.16 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.96 4.07 90.39 Favored Glycine 0 C--N 1.329 0.144 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.225 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.458 ' HG ' ' CB ' ' A' ' 38' ' ' LEU . 11.0 mt -81.46 85.43 6.48 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.96 0.409 . . . . 0.0 110.22 -177.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -74.68 -7.37 53.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.881 -175.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -120.01 19.54 12.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -174.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.442 ' CE1' HG13 ' A' ' 47' ' ' ILE . 86.3 t80 -62.27 -33.96 75.64 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.195 -0.316 . . . . 0.0 111.652 -175.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -85.12 -3.73 58.9 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -174.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -89.5 -47.18 8.15 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.728 0.775 . . . . 0.0 109.75 173.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.1 mp -75.45 -42.94 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.924 0 CA-C-N 114.379 -1.282 . . . . 0.0 111.279 -173.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.625 HD11 ' HB2' ' A' ' 85' ' ' TYR . 8.4 mm -87.29 98.69 7.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-O 121.094 0.473 . . . . 0.0 109.917 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -84.67 -22.47 29.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.669 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -125.25 58.57 20.48 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.565 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -64.78 112.52 2.02 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.149 1.899 . . . . 0.0 112.283 -176.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.63 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 30.6 tpp -134.8 150.56 50.53 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.886 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.428 ' O ' HG23 ' A' ' 56' ' ' VAL . 4.1 m-20 -135.61 151.42 50.24 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.9 mt -57.12 -35.31 69.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.976 0.353 . . . . 0.0 111.526 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.3 p -59.95 -44.31 94.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.996 0.427 . . . . 0.0 110.704 175.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.63 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 1.9 m -71.43 -35.76 71.07 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.831 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 52' ' ' ASP . 94.5 t -60.28 -46.73 94.44 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-O 121.561 0.696 . . . . 0.0 109.271 176.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.684 ' HG3' HD13 ' A' ' 14' ' ' LEU . 20.0 tttt -65.41 -40.45 93.4 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.993 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -56.2 -53.78 53.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.975 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -70.39 -28.9 65.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.725 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.479 ' HE3' HD12 ' A' ' 14' ' ' LEU . 29.0 ttm -65.5 -40.23 92.8 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 172.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 37.7 mt-10 -66.66 -29.08 69.0 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.906 0.384 . . . . 0.0 111.109 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -82.12 -3.43 54.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.595 0.712 . . . . 0.0 109.642 175.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.561 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 16.3 mmt85 58.94 35.22 24.03 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 114.498 -1.228 . . . . 0.0 111.767 176.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.4 -16.97 62.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.879 173.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.533 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -87.47 143.37 27.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.191 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.434 ' HB2' ' OE1' ' A' ' 70' ' ' GLU . 30.0 mmt180 -110.35 -26.83 9.36 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.46 177.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -142.81 162.5 35.3 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.007 0.432 . . . . 0.0 109.844 -176.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.53 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -71.0 -15.73 62.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.185 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -71.14 -36.48 72.1 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.493 176.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.434 ' OE1' ' HB2' ' A' ' 66' ' ' ARG . 42.5 mt-10 -66.94 -33.23 75.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.835 175.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.601 ' O ' HG12 ' A' ' 75' ' ' VAL . 9.9 t80 -65.39 -54.18 32.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.839 171.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.15 -38.76 65.85 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.473 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.57 -50.34 68.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.7 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.93 -48.02 33.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.041 -174.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.8 p -65.94 -42.65 92.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -176.231 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -76.99 -23.01 52.27 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.271 -176.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 77' ' ' LEU . 1.5 mt -60.34 -43.06 96.81 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.079 0.466 . . . . 0.0 109.797 171.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.4 ' SD ' ' HB3' ' A' ' 29' ' ' PHE . 10.4 tmm? -58.74 -48.3 81.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.157 177.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -60.12 -38.38 82.84 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.915 0.388 . . . . 0.0 110.469 175.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.9 m -60.73 -43.0 98.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.621 ' HB3' HD12 ' A' ' 47' ' ' ILE . 80.2 m-20 -60.27 -33.95 73.04 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.986 0.422 . . . . 0.0 110.716 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 58.5 m -63.95 -43.7 95.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.7 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -74.81 -24.24 58.61 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.127 0.489 . . . . 0.0 109.928 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -34.14 66.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.854 -177.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.625 ' HB2' HD11 ' A' ' 47' ' ' ILE . 81.5 t80 -93.06 -59.91 1.93 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.446 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -83.38 136.63 42.79 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.551 -172.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -66.18 154.39 74.32 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.367 2.045 . . . . 0.0 111.063 177.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.25 -19.47 9.36 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 124.138 3.225 . . . . 0.0 114.129 -172.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -108.03 78.96 1.22 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.823 0.344 . . . . 0.0 110.404 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.561 ' O ' HG22 ' A' ' 93' ' ' VAL . 9.0 t-80 -156.64 162.47 39.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.213 174.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.74 -48.58 80.68 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -29.92 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.724 -172.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 90' ' ' HIS . 13.9 m -78.19 -35.91 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.304 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.59 84.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.108 0.48 . . . . 0.0 110.158 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 51.9 mtm -68.93 -37.39 78.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.475 177.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 100' ' ' GLN . . . -68.97 -28.8 66.95 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 120.999 0.428 . . . . 0.0 110.341 177.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 66.3 ttt180 -75.73 -43.44 46.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.895 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -70.63 -44.15 67.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.548 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.58 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -64.45 -28.63 69.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.216 172.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.462 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 6.7 tp-100 -59.08 -48.3 82.09 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 173.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -54.59 -48.57 71.97 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.075 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.625 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 2.0 p -66.11 -55.92 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.134 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -54.73 -38.93 67.73 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 120.581 0.229 . . . . 0.0 111.277 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -68.37 -42.35 79.27 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -176.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -68.94 -35.85 77.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.161 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 23.2 mmt180 -65.5 -44.38 87.23 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.452 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -70.6 -32.42 69.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.048 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.84 -34.69 78.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.874 177.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.7 tptp -77.22 -26.67 52.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.247 0.546 . . . . 0.0 109.943 176.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -71.63 121.17 83.67 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.701 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -90.19 149.79 4.61 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.415 2.077 . . . . 0.0 112.276 174.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.552 -0.737 . . . . 0.0 109.804 178.883 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 19.5 t60 . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -148.94 79.0 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.208 0.527 . . . . 0.0 110.7 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 75.1 mt -135.37 73.45 1.47 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.714 176.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 284' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' B' ' 285' ' ' ARG . 10.6 tp -94.99 -11.07 29.12 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.789 -179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 285' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' B' ' 284' ' ' LEU . 7.2 mpt_? 72.82 157.29 0.18 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.864 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 36.5 pt -121.57 13.51 6.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.237 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 287' ' ' ALY . . . . . 0.456 ' HG2' HD11 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -81.92 53.65 2.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.26 0.552 . . . . 0.0 111.727 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -93.91 55.67 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 171.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 46.8 mt -84.16 65.83 8.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.275 -171.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 291' ' ' GLN . . . . . 0.408 ' O ' ' HG3' ' B' ' 291' ' ' GLN . 9.7 pt20 -105.85 93.68 4.77 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.64 0.733 . . . . 0.0 110.219 176.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.53 -0.748 . . . . 0.0 109.318 179.182 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.813 0 CA-C-O 120.069 -0.295 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 66.73 166.99 0.22 Allowed 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.258 0.623 . . . . 0.0 111.949 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.6 mt -113.89 109.77 19.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.365 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.9 t -71.14 171.97 10.03 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 174.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.62 -44.73 69.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.015 0.436 . . . . 0.0 110.797 -177.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -61.26 -43.23 99.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.537 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.6 mt -73.53 -31.96 63.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.222 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -67.81 -36.23 80.02 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -64.63 -33.42 75.9 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.504 ' SG ' ' HA ' ' A' ' 68' ' ' ALA . 70.3 m -65.01 -43.54 92.14 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.638 177.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.548 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 14.7 t30 -55.1 -41.71 71.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.198 177.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.71 -35.54 66.78 Favored Glycine 0 CA--C 1.517 0.205 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.082 -178.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 98.0 mt -72.26 -51.02 32.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.794 0.331 . . . . 0.0 110.738 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.681 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.5 tt -55.08 -48.77 73.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.372 178.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 8.9 tmtt? -44.82 -57.5 3.7 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 122.712 1.244 . . . . 0.0 110.896 175.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -56.51 -48.84 76.36 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 112.411 -2.177 . . . . 0.0 111.929 -176.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.61 -22.77 66.64 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.984 0.421 . . . . 0.0 109.915 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.422 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 61.5 mt -90.51 -11.38 40.36 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.242 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.7 m -81.55 155.22 25.84 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.401 0.62 . . . . 0.0 111.676 -176.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HA ' ' CB ' ' A' ' 23' ' ' ALA . 67.6 mmtt -58.29 -20.26 41.36 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 114.751 -1.113 . . . . 0.0 113.048 -172.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -57.11 -39.56 75.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.289 0.566 . . . . 0.0 110.737 175.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.46 ' HB3' HD21 ' A' ' 99' ' ' LEU . 97.3 m-70 -107.69 -14.32 14.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.643 -176.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.415 ' CB ' ' HA ' ' A' ' 20' ' ' LYS . . . -48.35 -36.42 14.4 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -175.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.93 -24.17 36.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.042 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -138.4 17.9 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.056 0.455 . . . . 0.0 110.699 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' C ' ' HD2' ' A' ' 28' ' ' PRO . . . -115.26 -11.11 12.0 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.079 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.596 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 67.2 p-90 -56.29 -35.09 31.06 Favored Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -177.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 2.8 Cg_endo -56.31 -20.52 32.57 Favored 'Trans proline' 0 C--N 1.366 1.498 0 C-N-CA 121.583 1.522 . . . . 0.0 113.196 176.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CD1' HD12 ' A' ' 99' ' ' LEU . 1.9 m-85 -112.66 -8.61 13.79 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -171.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.422 ' CE1' ' HA ' ' A' ' 18' ' ' LEU . 9.6 m-30 -59.06 -53.85 53.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.96 0.41 . . . . 0.0 110.046 175.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -132.58 154.39 81.49 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.714 179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.426 ' HD3' ' OD1' ' A' ' 52' ' ' ASP . 18.2 Cg_endo -59.28 156.72 33.84 Favored 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 122.869 2.379 . . . . 0.0 112.23 -178.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.414 HG13 ' H ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER -67.82 149.63 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.267 -177.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -89.76 71.04 7.72 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.33 -39.04 60.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.637 -170.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.8 m -65.68 -44.47 86.14 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.631 0.253 . . . . 0.0 111.044 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.43 -25.36 60.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.376 0.607 . . . . 0.0 110.711 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.1 mt -81.21 -7.02 59.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.055 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.12 8.36 87.43 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.359 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' B' ' 287' ' ' ALY . 14.3 mt -84.2 107.19 16.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.997 0.427 . . . . 0.0 110.75 -177.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -86.01 -15.65 40.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.977 -176.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.506 ' O ' HD13 ' A' ' 46' ' ' ILE . 11.1 m-20 -124.79 35.45 4.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.632 -169.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -74.25 -45.94 44.7 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.672 -175.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -74.39 -20.54 60.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.751 0.31 . . . . 0.0 111.19 -176.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -75.72 -36.17 60.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.884 0.373 . . . . 0.0 110.883 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 42' ' ' ASP . 1.9 mp -84.75 -40.61 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.506 178.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.661 HD11 ' HB2' ' A' ' 85' ' ' TYR . 16.6 mm -95.56 101.89 12.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.914 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 26.8 mmtp -82.53 -29.2 30.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.147 0.499 . . . . 0.0 110.737 177.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.47 ' CG ' HD22 ' A' ' 77' ' ' LEU . 3.0 p80 -119.58 70.98 13.36 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.24 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.65 99.92 1.28 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.718 2.279 . . . . 0.0 112.365 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.521 ' HG2' ' OD1' ' A' ' 74' ' ' ASP . 31.6 tpp -122.55 151.18 41.65 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.71 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.46 ' O ' HG23 ' A' ' 56' ' ' VAL . 4.1 p30 -138.53 155.2 48.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 mt -62.09 -28.28 69.51 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.362 -174.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.7 t -67.77 -41.59 83.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.778 0.323 . . . . 0.0 110.529 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.45 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 16.9 m -74.32 -33.56 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.014 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 52' ' ' ASP . 94.8 t -58.87 -45.38 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.701 . . . . 0.0 109.317 175.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.681 ' HG3' HD13 ' A' ' 14' ' ' LEU . 19.6 tttt -66.75 -40.83 88.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.114 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -55.64 -50.95 68.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.934 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -71.04 -26.98 63.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.72 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 12.7 ttm -69.34 -35.96 76.42 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 173.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 46.5 mt-10 -66.24 -32.28 73.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -79.96 -1.49 39.74 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 57.97 33.08 22.8 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 114.242 -1.345 . . . . 0.0 111.53 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -24.6 67.89 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.16 177.051 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.561 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -80.97 136.01 35.95 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.79 -174.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -100.82 -28.56 12.73 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.662 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -144.79 159.8 42.29 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -173.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.504 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . . . -69.42 -15.89 63.38 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.653 -179.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -72.22 -35.07 68.78 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -68.37 -34.28 75.79 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.671 177.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.644 ' O ' HG12 ' A' ' 75' ' ' VAL . 9.1 t80 -64.56 -54.64 28.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.546 172.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.486 ' O ' ' HG2' ' A' ' 76' ' ' ARG . . . -53.9 -41.46 67.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.407 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.44 -44.6 76.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.303 177.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.521 ' OD1' ' HG2' ' A' ' 51' ' ' MET . 5.5 t0 -75.73 -47.69 25.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.991 0.424 . . . . 0.0 111.004 -175.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.5 p -63.92 -41.56 92.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.28 -178.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 2.9 ptp180 -69.58 -29.46 67.02 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.217 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.47 HD22 ' CG ' ' A' ' 49' ' ' HIS . 2.3 mt -61.78 -36.93 82.51 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.265 0.555 . . . . 0.0 110.594 176.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.446 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . 12.3 tmm? -61.23 -52.89 62.85 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.744 174.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -59.08 -37.28 76.72 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.102 0.477 . . . . 0.0 110.599 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.0 m -61.42 -49.22 77.74 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.958 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.548 ' HB2' HD12 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -66.91 -27.19 67.29 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.985 -175.789 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.441 ' SG ' ' HB ' ' A' ' 92' ' ' VAL . 20.0 t -65.21 -46.22 81.57 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.644 176.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -66.0 -24.6 66.81 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.35 0.595 . . . . 0.0 110.176 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -42.2 60.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.588 -175.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.661 ' HB2' HD11 ' A' ' 47' ' ' ILE . 76.7 t80 -82.48 -53.86 5.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.148 0.499 . . . . 0.0 110.993 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -86.69 132.2 43.16 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.539 -172.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -68.72 158.26 58.52 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.611 2.207 . . . . 0.0 111.272 175.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -50.02 -21.4 6.32 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 124.536 3.49 . . . . 0.0 114.403 -173.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -108.57 74.09 0.9 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.161 0.505 . . . . 0.0 110.632 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.648 ' O ' HG22 ' A' ' 93' ' ' VAL . 2.3 t-80 -154.82 149.85 26.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.735 175.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.08 -45.23 64.71 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -175.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.441 ' HB ' ' SG ' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -65.63 -28.22 43.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -171.901 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 90' ' ' HIS . 12.5 m -78.56 -34.41 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.11 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.82 -40.46 79.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.065 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 57.3 mtm -68.8 -38.78 80.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.272 176.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.03 79.29 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 120.866 0.365 . . . . 0.0 110.431 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -71.23 -42.52 68.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.047 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -69.77 -43.86 71.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.518 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.562 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -64.27 -29.95 71.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.401 172.454 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.639 ' O ' ' HB2' ' A' ' 104' ' ' GLU . 52.8 tp60 -62.11 -38.25 88.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 174.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.88 -48.19 80.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.602 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.535 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.5 p -63.28 -55.16 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.832 178.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -55.66 -37.58 68.46 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.347 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.639 ' HB2' ' O ' ' A' ' 100' ' ' GLN . 0.7 OUTLIER -57.61 -52.75 64.13 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.883 0.373 . . . . 0.0 110.977 177.177 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -70.08 -34.09 72.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.666 -174.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 34.8 mmt180 -64.36 -46.99 81.03 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 121.177 0.513 . . . . 0.0 110.233 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -69.49 -28.19 65.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.15 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.52 -43.09 81.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.432 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -69.72 -28.66 66.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.262 0.553 . . . . 0.0 109.746 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -64.86 117.79 42.25 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.266 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -91.34 157.12 3.72 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.89 2.393 . . . . 0.0 112.387 174.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.281 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 36.4 m80 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -158.75 116.03 2.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.594 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -77.96 -31.51 50.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.544 -175.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 284' ' ' LEU . . . . . 0.476 ' HG ' ' HG2' ' B' ' 285' ' ' ARG . 30.3 tp -155.9 -88.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.294 -178.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 285' ' ' ARG . . . . . 0.476 ' HG2' ' HG ' ' B' ' 284' ' ' LEU . 0.0 OUTLIER -148.4 141.57 25.03 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.344 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 30.0 pt -126.91 19.2 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -171.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 287' ' ' ALY . . . . . 0.494 ' HG2' HD11 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 288' ' ' GLN . . . . . 0.555 ' O ' ' HB2' ' B' ' 292' ' ' SER . 30.3 tt0 -94.62 19.88 9.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.284 0.564 . . . . 0.0 110.495 -177.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -76.69 63.39 2.13 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.665 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 65.1 tp -143.14 -53.03 0.38 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -141.76 72.3 1.38 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.953 -1.022 . . . . 0.0 109.064 174.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 292' ' ' SER . . . . . 0.555 ' HB2' ' O ' ' B' ' 288' ' ' GLN . 4.1 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.242 -0.885 . . . . 0.0 109.306 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.802 0 N-CA-C 111.773 -0.531 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -126.91 163.72 23.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.85 0.357 . . . . 0.0 110.719 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.3 mt -107.32 119.06 38.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.029 174.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.5 t -79.46 177.49 8.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -58.06 -43.7 87.07 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.032 0.444 . . . . 0.0 110.952 -177.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -62.59 -42.41 99.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.339 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.54 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 88.5 mt -74.94 -26.37 59.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.196 -177.146 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -71.2 -34.67 71.09 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -70.86 -35.33 72.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.963 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.576 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 14.2 p -69.87 -29.7 66.99 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -64.45 -42.5 95.93 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.727 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.1 -41.96 68.91 Favored Glycine 0 C--N 1.329 0.188 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.723 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.433 HG12 ' HB3' ' A' ' 106' ' ' ARG . 96.8 mt -60.7 -50.73 79.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.91 0.386 . . . . 0.0 110.568 178.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.689 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.3 tt -55.79 -47.0 77.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.385 177.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -55.07 -36.39 65.57 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.323 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' CD ' ' HE ' ' A' ' 106' ' ' ARG . 31.7 tt0 -76.5 -42.09 44.69 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.834 -176.015 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -62.96 -24.06 67.71 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.1 mt -89.58 -13.28 37.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.93 177.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.1 m -70.29 150.51 46.29 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.412 0.625 . . . . 0.0 111.351 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' HA ' ' HB2' ' A' ' 23' ' ' ALA . 27.1 mmtm -64.79 -10.2 26.12 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.104 -175.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -64.11 -37.85 88.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.081 0.467 . . . . 0.0 110.692 174.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.417 ' HB3' HD21 ' A' ' 99' ' ' LEU . 97.6 m-70 -105.05 -14.01 15.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.519 -176.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 20' ' ' LYS . . . -46.27 -37.33 7.14 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -176.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.69 -28.72 23.02 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 123.484 0.49 . . . . 0.0 111.943 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -136.58 20.97 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.986 0.422 . . . . 0.0 110.641 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' C ' ' HD2' ' A' ' 28' ' ' PRO . . . -117.79 -12.98 10.15 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.434 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.606 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.6 p-90 -56.24 -33.98 22.18 Favored Pre-proline 0 CA--C 1.547 0.843 0 N-CA-C 113.61 0.966 . . . . 0.0 113.61 -177.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.2 Cg_endo -54.87 -20.2 21.83 Favored 'Trans proline' 0 C--N 1.37 1.674 0 C-N-CA 121.556 1.504 . . . . 0.0 113.166 176.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CD1' HD12 ' A' ' 99' ' ' LEU . 1.7 m-85 -113.46 -8.84 13.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -172.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -55.6 -55.41 32.37 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-O 120.682 0.277 . . . . 0.0 111.314 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -135.79 159.81 69.87 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.423 -176.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -49.64 143.93 20.83 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.363 2.709 . . . . 0.0 112.704 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.411 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -65.77 147.44 12.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.592 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -88.73 63.62 6.97 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.52 -35.99 32.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.876 -171.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.6 t -63.09 -52.1 64.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.68 0.276 . . . . 0.0 110.743 177.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.98 -18.98 61.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.246 0.546 . . . . 0.0 110.972 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.9 mt -85.46 -10.9 55.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.612 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.86 5.64 87.71 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.173 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.424 HD11 ' HG2' ' B' ' 287' ' ' ALY . 9.1 mt -86.78 92.71 9.05 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 122.633 0.373 . . . . 0.0 110.123 -177.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -85.0 -4.26 59.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.899 0.38 . . . . 0.0 111.176 -175.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -123.07 25.42 8.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.173 -174.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.458 ' CE1' HG13 ' A' ' 47' ' ' ILE . 82.9 t80 -66.96 -41.26 87.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.646 -174.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -81.97 0.55 39.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.026 0.441 . . . . 0.0 111.119 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -91.39 -37.61 13.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.096 0.474 . . . . 0.0 110.357 175.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -85.34 -49.38 15.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.301 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.639 HD11 ' HB2' ' A' ' 85' ' ' TYR . 21.2 mm -79.33 109.93 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.159 -178.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 23.9 mmtp -89.36 -29.31 19.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.021 -178.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -121.94 69.33 27.11 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.88 104.91 1.06 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.218 1.945 . . . . 0.0 111.953 177.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.658 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 31.4 tpp -131.27 147.35 52.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.503 -178.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -133.8 153.27 51.84 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.6 mt -58.35 -36.6 73.7 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.223 0.465 . . . . 0.0 111.423 -178.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.7 p -60.87 -38.84 86.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.64 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.658 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 1.6 m -74.66 -36.24 62.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.665 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.09 -45.8 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.393 0.616 . . . . 0.0 109.353 176.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.689 ' HG3' HD13 ' A' ' 14' ' ' LEU . 19.5 tttt -66.17 -41.35 90.44 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.067 178.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -55.34 -50.83 68.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.728 177.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -70.94 -28.84 64.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.698 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 29.2 ttm -67.9 -38.43 82.97 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 173.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.5 -31.33 72.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.975 0.416 . . . . 0.0 110.678 177.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -80.76 -6.05 57.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.58 0.705 . . . . 0.0 109.676 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 59.62 38.34 22.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.2 -1.364 . . . . 0.0 111.482 176.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.74 -21.95 63.41 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.571 173.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.548 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -84.12 141.97 30.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.906 -175.088 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.422 ' HB2' ' OE2' ' A' ' 70' ' ' GLU . 12.8 mtm180 -107.57 -25.53 11.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.11 177.296 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -147.73 165.22 31.16 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.9 -17.62 62.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.628 -177.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -71.89 -31.37 66.35 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' OE2' ' HB2' ' A' ' 66' ' ' ARG . 70.7 mt-10 -71.73 -33.65 68.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.794 175.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.648 ' O ' HG12 ' A' ' 75' ' ' VAL . 4.6 t80 -64.34 -53.99 39.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.455 171.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.47 -42.28 67.05 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.397 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.07 -44.2 78.7 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.398 177.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -75.66 -46.93 28.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.938 -175.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.6 p -67.22 -38.92 81.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.15 -179.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -68.06 -31.4 71.02 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.48 -30.9 71.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.409 177.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.661 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 12.4 tmm? -63.11 -51.28 67.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.523 174.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -58.85 -36.71 75.02 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.33 0.586 . . . . 0.0 110.475 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m -65.66 -46.62 78.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.146 -177.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.661 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 12.0 p30 -65.81 -28.38 68.96 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.717 -177.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 17.3 t -62.48 -47.83 82.29 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.254 176.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -66.31 -24.05 66.47 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.25 0.548 . . . . 0.0 110.445 177.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.45 ' HB2' ' HA ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -75.18 -29.55 60.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.706 -175.79 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.639 ' HB2' HD11 ' A' ' 47' ' ' ILE . 77.3 t80 -96.95 -57.91 2.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.759 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -80.49 133.83 55.65 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.633 -174.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.84 153.38 78.37 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.222 1.948 . . . . 0.0 110.697 173.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.87 -20.19 21.74 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.863 3.042 . . . . 0.0 113.502 -173.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -96.93 70.57 2.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.032 174.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.587 ' O ' HG22 ' A' ' 93' ' ' VAL . 8.9 t-80 -157.07 156.22 32.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.143 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.35 -45.08 95.88 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -177.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -27.81 42.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -170.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 90' ' ' HIS . 14.1 m -77.03 -35.68 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.029 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.37 -41.02 77.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.422 177.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 66.4 mtm -69.08 -36.98 78.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.308 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.65 -34.7 78.46 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.124 0.488 . . . . 0.0 110.024 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -68.89 -44.93 72.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.104 -177.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -71.05 -43.09 68.52 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.727 -177.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.57 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -63.96 -29.35 70.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.08 172.713 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -64.11 -35.28 80.25 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -60.88 -58.03 10.15 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.006 177.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.677 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.9 p -57.06 -54.18 33.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.327 -177.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -54.4 -39.35 67.19 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.701 0.286 . . . . 0.0 111.424 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -73.94 -40.57 62.97 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 120.57 0.224 . . . . 0.0 110.45 -175.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.483 ' O ' ' HE2' ' A' ' 109' ' ' LYS . 29.9 m-85 -65.51 -33.24 75.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.734 175.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.677 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 36.1 mmt180 -66.39 -45.5 79.79 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.516 178.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -69.48 -32.1 70.79 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.717 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.45 -35.15 79.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.112 177.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.483 ' HE2' ' O ' ' A' ' 105' ' ' PHE . 0.2 OUTLIER -80.29 -24.87 39.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.239 0.543 . . . . 0.0 110.131 177.431 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -72.61 124.74 91.15 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.487 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -86.34 145.11 8.22 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 121.804 1.669 . . . . 0.0 112.433 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 . . . . . 0 C--O 1.244 0.805 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.994 -179.181 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 36.5 m80 . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 120.636 0.255 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -149.31 134.87 18.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.222 0.534 . . . . 0.0 110.738 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 8.8 mp -99.21 91.67 5.09 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 23.9 tp -78.47 61.37 2.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.828 -175.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 22.0 mtm-85 58.49 69.51 0.72 Allowed 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.267 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 24.6 pt -54.98 123.27 5.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.351 0.596 . . . . 0.0 111.132 -176.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 287' ' ' ALY . . . . . 0.424 ' HG2' HD11 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -79.0 61.41 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.439 0.638 . . . . 0.0 111.973 -176.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -100.76 22.25 12.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.552 173.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 43.9 tp -126.71 64.61 1.28 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.121 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -104.5 -2.82 24.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.376 -177.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.248 1.0 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.099 178.434 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.438 ' O ' ' HD2' ' A' ' 63' ' ' ARG . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 112.106 -0.398 . . . . 0.0 112.106 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -64.13 127.66 32.42 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 122.278 0.231 . . . . 0.0 110.865 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.45 ' HG ' ' CZ ' ' A' ' 63' ' ' ARG . 80.2 mt -65.82 105.06 1.19 Allowed 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 176.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.3 m -71.28 174.08 6.92 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.385 177.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -51.83 -41.01 61.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.621 0.248 . . . . 0.0 111.664 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.408 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 1.6 mp0 -63.78 -45.39 89.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.492 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.597 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 82.7 mt -75.99 -27.84 57.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.236 0.541 . . . . 0.0 111.336 -176.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -71.88 -33.4 68.33 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 173.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -71.16 -38.0 72.22 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.915 176.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' A' ' 7' ' ' LEU . 14.2 p -68.74 -30.68 69.36 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.897 0.379 . . . . 0.0 110.023 178.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -62.22 -43.71 98.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.974 175.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.24 -40.5 61.0 Favored Glycine 0 C--N 1.331 0.281 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.782 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.95 -49.35 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.753 0.311 . . . . 0.0 110.565 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.685 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.2 tt -55.52 -49.01 73.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.654 176.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -55.38 -36.09 66.01 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.006 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -73.47 -44.83 57.11 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.602 -177.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 mt -63.75 -22.43 66.91 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.8 mt -91.64 -11.53 36.8 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.956 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.1 m -71.54 149.8 45.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.424 0.631 . . . . 0.0 111.431 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -55.39 -26.55 42.22 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.683 -178.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -53.49 -37.82 63.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.28 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -108.53 -12.83 14.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.53 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.39 -35.33 18.63 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -175.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.6 -28.7 33.8 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.612 0.57 . . . . 0.0 111.96 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -137.11 17.66 2.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.949 0.404 . . . . 0.0 110.969 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.48 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -113.6 -13.11 12.77 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.083 177.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.602 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.1 p-90 -55.92 -34.92 29.05 Favored Pre-proline 0 CA--C 1.545 0.785 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -176.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.6 Cg_endo -52.35 -24.85 22.48 Favored 'Trans proline' 0 C--N 1.368 1.561 0 C-N-CA 121.726 1.617 . . . . 0.0 113.163 177.135 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.536 ' CD1' HD12 ' A' ' 99' ' ' LEU . 2.1 m-85 -111.03 -8.99 14.41 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -170.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -52.72 -53.06 52.97 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.831 0.348 . . . . 0.0 111.554 177.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -136.54 160.79 65.29 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.809 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -53.85 134.16 57.81 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.741 2.294 . . . . 0.0 111.685 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.423 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -61.18 145.05 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -178.795 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -86.39 68.44 10.22 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.474 ' HB1' ' HB2' ' A' ' 40' ' ' LEU . . . -49.9 -41.07 45.11 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.808 0.693 . . . . 0.0 111.802 -172.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.8 m -63.29 -41.9 99.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.63 0.252 . . . . 0.0 111.496 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.96 -9.8 59.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.383 0.611 . . . . 0.0 110.789 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 mt -99.09 -7.86 26.1 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.8 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.82 4.47 87.23 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.434 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.628 HD11 ' HG2' ' B' ' 287' ' ' ALY . 7.7 mt -87.85 94.85 9.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.018 0.437 . . . . 0.0 110.327 -176.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -85.94 -2.88 58.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.145 0.497 . . . . 0.0 110.539 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -125.37 21.58 7.89 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -172.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -64.06 -42.33 97.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.23 -0.294 . . . . 0.0 111.382 -176.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -81.76 -7.24 59.58 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.663 -176.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.423 ' O ' ' HE2' ' A' ' 48' ' ' LYS . 1.7 m-20 -82.8 -33.8 27.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.156 0.503 . . . . 0.0 110.076 176.185 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.34 -48.24 14.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.927 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.681 HD12 ' HB3' ' A' ' 81' ' ' ASN . 9.9 mm -83.29 97.7 4.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.946 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' HE2' ' O ' ' A' ' 45' ' ' ASP . 62.4 mmtt -83.65 -25.66 30.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.333 -176.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -120.91 59.55 7.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.599 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.24 116.46 3.89 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.559 2.173 . . . . 0.0 112.366 -176.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.574 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 29.8 tpp -134.0 149.76 51.22 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.298 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.417 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -132.66 146.97 52.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -177.148 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.0 mt -57.03 -34.05 67.81 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.327 0.512 . . . . 0.0 111.399 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.3 p -61.41 -43.09 99.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.835 175.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.574 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 4.4 m -72.35 -34.36 67.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.808 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 52' ' ' ASP . 89.6 t -60.41 -46.81 94.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 121.43 0.633 . . . . 0.0 109.319 175.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.685 ' HG3' HD13 ' A' ' 14' ' ' LEU . 19.3 tttt -64.13 -40.77 96.88 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.718 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -56.78 -51.7 67.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.198 178.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -71.61 -29.29 64.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.484 -177.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 28.4 ttm -65.66 -39.42 91.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.143 172.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -67.67 -28.81 68.01 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.159 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -80.1 -3.1 47.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.495 0.664 . . . . 0.0 109.627 175.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.45 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 20.5 mmt85 57.78 37.77 27.19 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.261 -1.336 . . . . 0.0 110.964 177.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.08 -16.11 61.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.555 174.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.535 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.8 OUTLIER -90.9 136.62 32.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.479 -175.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.642 ' HB3' ' OE1' ' A' ' 70' ' ' GLU . 61.4 ttt-85 -96.07 -32.07 12.72 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.304 176.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -145.75 166.86 24.65 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.184 0.516 . . . . 0.0 110.443 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.408 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -71.1 -16.32 62.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.609 -177.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -72.87 -28.98 62.82 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.642 ' OE1' ' HB3' ' A' ' 66' ' ' ARG . 50.1 mt-10 -72.52 -32.83 66.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.606 174.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.61 ' O ' HG12 ' A' ' 75' ' ' VAL . 5.1 t80 -66.27 -52.28 49.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.655 170.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.38 -35.8 68.13 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.587 178.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.48 -50.89 68.71 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.602 175.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.15 -52.89 19.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.875 -176.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 71' ' ' PHE . 3.6 p -64.33 -40.92 90.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.776 -174.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -72.68 -28.57 62.78 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.241 -178.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.98 -39.77 95.72 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.097 174.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.7 tmm? -60.31 -47.72 84.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -60.92 -38.65 86.51 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.947 0.404 . . . . 0.0 110.675 175.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 t -60.04 -42.48 94.54 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.255 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.681 ' HB3' HD12 ' A' ' 47' ' ' ILE . 86.4 m-20 -59.01 -40.52 85.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.985 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.487 ' SG ' HH32 ' B' ' 287' ' ' ALY . 50.9 m -60.2 -41.14 92.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.776 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -71.99 -24.62 61.6 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.146 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -67.95 -49.61 60.78 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.195 0.522 . . . . 0.0 110.67 177.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.526 ' HB2' HD11 ' A' ' 47' ' ' ILE . 71.7 t80 -77.09 -48.88 16.59 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.773 -171.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 21.5 m-80 -96.32 141.28 22.89 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.799 -166.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 86' ' ' ASN . 1.3 Cg_endo -72.52 154.4 55.22 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.549 2.166 . . . . 0.0 112.16 176.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -47.29 -24.06 3.56 Favored 'Trans proline' 0 C--N 1.356 0.927 1 C-N-CA 125.358 4.039 . . . . 0.0 116.336 -172.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -86.13 -68.33 0.75 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.693 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.73 ' NE2' ' HB ' ' B' ' 286' ' ' ILE . 0.1 OUTLIER -7.04 128.78 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 125.496 1.518 . . . . 0.0 113.954 168.706 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.4 -32.36 62.6 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -171.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -18.15 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.969 -172.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 90' ' ' HIS . 14.7 m -83.07 -33.68 10.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.701 175.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.17 -41.63 70.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.378 178.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 59.9 mtm -67.93 -35.52 78.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.23 178.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.18 -35.09 77.48 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.229 0.538 . . . . 0.0 110.132 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 31.1 ttm180 -70.81 -42.53 70.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.008 -178.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.471 ' O ' ' HB3' ' A' ' 101' ' ' ASP . 58.5 tttp -73.14 -42.65 62.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.522 -178.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.536 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -65.08 -27.66 68.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.3 172.856 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.416 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 57.5 tp60 -60.3 -45.34 93.71 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.471 ' HB3' ' O ' ' A' ' 98' ' ' LYS . 14.2 t70 -52.82 -52.69 56.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.387 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.591 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.6 p -65.53 -56.8 13.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.66 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -54.02 -41.37 67.95 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 100' ' ' GLN . 16.6 tp10 -73.68 -31.11 63.27 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 121.155 0.502 . . . . 0.0 109.804 -176.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.404 ' CE2' ' HE2' ' A' ' 109' ' ' LYS . 44.0 t80 -74.7 -34.25 62.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.099 177.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.591 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 18.6 mmm180 -69.82 -42.42 73.68 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.615 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -70.4 -24.58 62.95 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.45 -45.26 76.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 0.0 110.986 177.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.404 ' HE2' ' CE2' ' A' ' 105' ' ' PHE . 55.1 mttm -71.51 -22.76 61.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.091 0.472 . . . . 0.0 110.611 176.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -72.5 120.59 81.41 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.932 174.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -85.34 145.93 9.65 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 C-N-CA 121.726 1.617 . . . . 0.0 112.002 176.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.194 -0.908 . . . . 0.0 109.644 179.599 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 9.8 p80 . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.944 0.402 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 67.04 105.52 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.536 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 93.1 mt -80.43 0.78 31.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.867 -176.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 23.9 tp -85.07 143.85 28.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -80.13 156.98 26.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.313 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 286' ' ' ILE . . . . . 0.73 ' HB ' ' NE2' ' A' ' 90' ' ' HIS . 28.3 pt -106.19 131.12 56.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 174.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 287' ' ' ALY . . . . . 0.628 ' HG2' HD11 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -78.76 65.26 3.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.828 0.823 . . . . 0.0 110.572 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -101.45 23.1 11.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.277 174.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 290' ' ' LEU . . . . . 0.414 HD12 ' N ' ' B' ' 290' ' ' LEU . 5.6 mp -98.61 11.79 37.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.108 175.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -63.9 156.65 27.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.435 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 55.2 m . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.986 178.543 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.971 -0.452 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -95.63 133.08 40.09 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.425 ' HG ' ' CZ ' ' A' ' 63' ' ' ARG . 93.6 mt -69.85 98.6 1.26 Allowed 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.346 -0.541 . . . . 0.0 110.2 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.2 m -74.2 -179.96 4.15 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 175.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -51.77 -43.71 63.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.927 0.394 . . . . 0.0 111.259 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -60.96 -48.6 81.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.791 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.743 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 97.9 mt -79.51 -12.51 59.87 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.465 0.65 . . . . 0.0 111.689 -177.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -86.63 -32.65 20.47 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 173.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -72.31 -35.37 68.62 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.95 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.743 ' SG ' ' HA ' ' A' ' 7' ' ' LEU . 21.2 p -67.4 -38.34 84.5 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -58.16 -41.97 84.93 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.012 174.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.1 -41.2 60.86 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.724 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.89 -50.07 81.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.835 0.35 . . . . 0.0 110.457 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.631 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.2 tt -54.27 -50.11 68.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.817 177.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -56.52 -38.66 72.14 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.911 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' CD ' ' HE ' ' A' ' 106' ' ' ARG . 21.8 tt0 -69.32 -45.65 68.98 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.456 -177.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.3 mt -62.99 -22.98 67.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.121 0.486 . . . . 0.0 109.861 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.6 mt -90.9 -13.03 34.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.873 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.8 m -69.45 146.9 51.61 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.186 0.517 . . . . 0.0 111.281 -178.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 23' ' ' ALA . 27.6 mmtp -60.97 -17.3 50.94 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.071 -176.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -57.87 -38.09 75.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.964 0.411 . . . . 0.0 110.788 172.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -105.76 -14.66 15.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.69 -176.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.402 ' HB2' ' HA ' ' A' ' 20' ' ' LYS . . . -49.87 -33.94 18.61 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -175.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.89 -27.51 30.8 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 123.428 0.455 . . . . 0.0 111.698 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -136.97 19.05 3.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.936 0.398 . . . . 0.0 110.99 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' C ' ' HD2' ' A' ' 28' ' ' PRO . . . -115.85 -13.63 11.34 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.317 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.605 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 69.9 p-90 -55.75 -35.83 38.89 Favored Pre-proline 0 CA--C 1.545 0.769 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -177.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 2.5 Cg_endo -55.35 -19.39 21.88 Favored 'Trans proline' 0 C--N 1.367 1.543 0 C-N-CA 121.692 1.594 . . . . 0.0 113.284 177.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CD1' HD12 ' A' ' 99' ' ' LEU . 2.1 m-85 -113.89 -7.53 13.18 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -172.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -56.91 -56.37 22.52 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.976 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -138.3 158.15 71.3 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.019 -175.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -50.57 137.33 40.96 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.556 2.838 . . . . 0.0 112.714 -177.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.413 ' H ' HG13 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -59.9 148.11 8.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.75 179.731 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -84.49 62.06 7.04 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.46 -44.64 45.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.484 -170.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.6 m -63.15 -39.87 95.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.73 0.3 . . . . 0.0 111.515 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.3 -15.89 55.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.299 0.571 . . . . 0.0 110.892 178.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.7 mt -89.98 -2.73 58.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.744 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.83 6.11 89.63 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.192 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.413 HD11 ' HG2' ' B' ' 287' ' ' ALY . 8.3 mt -89.46 98.62 11.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.891 0.377 . . . . 0.0 110.155 -177.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -86.51 -17.48 34.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.84 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -112.54 27.06 9.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.819 -174.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.43 ' CE1' HG13 ' A' ' 47' ' ' ILE . 84.2 t80 -65.63 -39.98 92.06 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.403 -0.186 . . . . 0.0 111.217 -177.129 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -82.36 -3.51 55.61 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.931 0.396 . . . . 0.0 111.245 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.6 -40.1 16.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.258 0.551 . . . . 0.0 109.94 175.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.407 HD11 HD13 ' B' ' 284' ' ' LEU . 1.9 mp -84.2 -48.47 16.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.913 178.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.546 HG23 ' HB2' ' A' ' 81' ' ' ASN . 16.8 mm -84.63 100.62 8.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.199 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 26.0 mmtp -88.06 -28.66 21.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -119.76 69.59 12.87 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.91 177.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.7 113.98 3.7 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.371 2.047 . . . . 0.0 111.9 176.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.577 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 29.8 tpp -132.64 147.16 52.33 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.15 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -132.74 149.03 52.33 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -175.269 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.2 mt -59.14 -35.38 73.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 118.169 0.44 . . . . 0.0 111.761 -178.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.5 t -65.6 -30.71 71.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.742 0.306 . . . . 0.0 110.532 177.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.577 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 2.0 m -80.16 -36.45 35.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.994 0.425 . . . . 0.0 110.193 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 52' ' ' ASP . 95.7 t -61.2 -45.47 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.503 0.668 . . . . 0.0 109.23 175.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.631 ' HG3' HD13 ' A' ' 14' ' ' LEU . 27.7 tttt -65.22 -42.26 93.62 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.217 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -54.25 -51.48 64.41 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.627 -1.169 . . . . 0.0 110.521 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -72.33 -25.18 61.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.239 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.429 ' HE1' ' HB2' ' A' ' 71' ' ' PHE . 15.5 tpp -73.31 -35.6 66.12 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 174.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.34 -30.6 71.71 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.239 176.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -84.7 -1.37 56.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.166 176.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.425 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 24.3 mmt85 57.42 35.61 26.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.411 176.289 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.63 -19.24 64.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.914 176.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.56 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.2 OUTLIER -89.46 140.73 29.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.749 -175.432 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.443 ' HD3' ' O ' ' A' ' 66' ' ' ARG . 4.2 tmt_? -98.24 -31.14 12.23 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.52 165.98 32.56 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -177.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.97 -17.0 63.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.302 -174.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -70.72 -34.61 72.09 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -69.29 -32.74 72.09 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.61 175.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.603 ' O ' HG12 ' A' ' 75' ' ' VAL . 10.1 t80 -64.2 -54.83 27.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.57 172.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.13 -44.55 64.56 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.162 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 77' ' ' LEU . . . -53.57 -44.09 69.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.364 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -75.31 -48.71 21.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.6 p -66.96 -39.67 83.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.456 -177.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -73.0 -25.02 60.83 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.45 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -65.15 -34.7 79.02 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 173.237 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.513 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . 12.4 tmm? -62.6 -51.29 67.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.705 176.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -59.12 -36.66 75.57 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.242 0.544 . . . . 0.0 110.529 175.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.7 m -63.82 -47.22 81.69 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.013 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.546 ' HB2' HG23 ' A' ' 47' ' ' ILE . 0.8 OUTLIER -66.18 -29.88 70.24 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.797 -177.197 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 13.4 t -60.68 -45.6 93.54 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.386 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -67.28 -24.53 65.79 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.35 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -66.85 -45.52 77.93 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.16 0.505 . . . . 0.0 110.453 177.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.538 ' HB2' HD11 ' A' ' 47' ' ' ILE . 55.6 t80 -81.67 -59.89 2.45 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.266 -172.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -83.92 129.65 58.17 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.234 -172.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -64.26 159.21 44.54 Favored 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 122.674 2.249 . . . . 0.0 111.83 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -48.68 -26.33 9.24 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 124.519 3.479 . . . . 0.0 114.913 -169.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -112.2 88.99 2.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.122 0.486 . . . . 0.0 109.966 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.627 ' O ' HG22 ' A' ' 93' ' ' VAL . 17.9 t-80 -160.3 149.62 17.49 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.134 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -52.32 -43.93 64.83 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -175.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.417 HG23 ' H ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -68.25 -26.92 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -172.664 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 90' ' ' HIS . 12.3 m -81.36 -36.22 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.341 -0.543 . . . . 0.0 109.887 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.08 97.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.151 0.501 . . . . 0.0 110.061 176.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 53.0 mtm -69.64 -33.96 73.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.22 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 100' ' ' GLN . . . -69.77 -31.95 70.18 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 120.596 0.236 . . . . 0.0 110.489 177.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 34.5 mtm180 -74.14 -43.27 58.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.852 0.358 . . . . 0.0 111.125 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -68.96 -47.53 65.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.931 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.573 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -62.4 -26.34 68.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.688 0.28 . . . . 0.0 111.169 172.863 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 6.2 tp-100 -63.73 -41.27 98.08 Favored 'General case' 0 C--O 1.221 -0.424 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 173.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.521 ' O ' ' HD1' ' A' ' 105' ' ' PHE . 14.5 t70 -57.22 -49.77 74.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.562 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.9 p -63.14 -58.41 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.213 178.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -56.34 -42.0 77.03 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.421 ' HB3' ' O ' ' A' ' 100' ' ' GLN . 12.2 tp10 -67.77 -44.85 76.48 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 120.967 0.413 . . . . 0.0 110.233 -174.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.521 ' HD1' ' O ' ' A' ' 101' ' ' ASP . 59.9 m-85 -74.99 -23.38 58.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.123 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 27.8 mmt180 -67.88 -48.6 65.59 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 174.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.433 ' O ' ' HB3' ' A' ' 110' ' ' MET . 46.2 t80 -67.5 -29.81 69.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.063 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.49 -38.44 80.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.427 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -87.52 -5.79 58.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.237 0.541 . . . . 0.0 110.358 177.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.433 ' HB3' ' O ' ' A' ' 107' ' ' TYR . 1.9 tmt? -73.84 121.57 85.49 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.841 173.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -84.79 152.69 11.47 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.267 1.978 . . . . 0.0 113.059 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 . . . . . 0 C--O 1.246 0.89 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.739 176.907 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 41.8 m80 . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -83.44 69.05 9.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.283 0.563 . . . . 0.0 110.419 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 62.0 tp -77.71 87.91 3.97 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.404 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 284' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' B' ' 285' ' ' ARG . 74.2 mt 59.99 43.44 14.6 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 285' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' B' ' 284' ' ' LEU . 9.4 mpt_? 71.23 151.19 0.1 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.292 -174.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 286' ' ' ILE . . . . . 0.627 HD13 ' H ' ' B' ' 286' ' ' ILE . 0.2 OUTLIER -121.47 8.1 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.627 -174.099 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 287' ' ' ALY . . . . . 0.413 ' HG2' HD11 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -83.27 52.48 2.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.245 0.545 . . . . 0.0 111.214 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -103.77 46.49 0.92 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.074 175.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 62.0 mt -85.55 51.73 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.052 -178.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 70.29 -53.96 0.63 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.81 -175.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 64.2 m . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.625 177.052 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 112.171 -0.372 . . . . 0.0 112.171 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -94.65 37.87 1.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.64 0.257 . . . . 0.0 110.406 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt 65.91 96.73 0.05 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.176 -177.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.4 m -68.38 178.77 1.84 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.406 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -50.18 -49.61 51.83 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.434 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 1.4 mp0 -63.59 -44.82 92.93 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.704 -0.226 . . . . 0.0 110.842 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.507 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 86.1 mt -77.27 -21.77 53.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.172 0.51 . . . . 0.0 111.461 -177.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -76.0 -36.24 59.26 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 173.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -68.63 -34.2 75.33 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.87 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.602 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 14.1 p -70.37 -30.17 67.02 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.002 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -67.92 -40.13 83.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.973 176.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.37 -40.66 79.93 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.63 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.17 -48.12 89.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.91 0.386 . . . . 0.0 110.483 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.671 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.1 tt -57.78 -45.72 85.6 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.723 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -56.17 -37.43 69.56 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.831 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -71.08 -47.38 58.57 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.631 -176.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.18 -22.96 65.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.568 177.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.7 mt -91.41 -13.99 31.41 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.037 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.1 m -71.89 154.91 40.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.489 0.661 . . . . 0.0 111.588 -178.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -62.63 -19.25 63.6 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.917 -174.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -61.67 -30.14 70.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.105 0.479 . . . . 0.0 111.089 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -112.46 -12.58 13.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.977 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.29 -36.09 13.49 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -174.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.58 -30.79 55.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.17 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -133.61 18.77 3.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.146 0.498 . . . . 0.0 110.605 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.432 ' C ' ' HD2' ' A' ' 28' ' ' PRO . . . -115.47 -12.92 11.62 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.262 178.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.604 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.4 p-90 -55.08 -35.93 39.46 Favored Pre-proline 0 CA--C 1.544 0.737 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -178.115 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 3.0 Cg_endo -56.08 -20.24 29.81 Favored 'Trans proline' 0 C--N 1.366 1.463 0 C-N-CA 121.522 1.481 . . . . 0.0 113.374 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.577 ' CD1' HD12 ' A' ' 99' ' ' LEU . 3.1 m-85 -112.52 -9.81 13.76 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -172.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -55.17 -51.94 64.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.617 0.246 . . . . 0.0 111.366 178.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -136.33 159.33 71.15 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -176.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.05 142.42 76.99 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 123.02 2.48 . . . . 0.0 112.284 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.474 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.8 OUTLIER -63.1 145.92 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.126 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -91.97 67.03 5.12 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' ' 40' ' ' LEU . . . -50.17 -46.79 54.46 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 114.516 -1.22 . . . . 0.0 112.877 -169.039 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.6 t -61.31 -41.86 97.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.613 0.244 . . . . 0.0 110.903 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.63 -26.77 61.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.327 0.584 . . . . 0.0 110.148 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.3 mt -80.95 -7.08 59.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.934 177.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.29 9.81 86.62 Favored Glycine 0 CA--C 1.52 0.38 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.247 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.506 HD11 ' HG2' ' B' ' 287' ' ' ALY . 9.8 mt -87.07 88.84 7.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.093 0.473 . . . . 0.0 110.18 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -85.26 6.8 24.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.665 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -124.98 21.75 8.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.822 0.344 . . . . 0.0 111.492 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -72.42 -42.12 65.46 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.228 -0.295 . . . . 0.0 111.529 -172.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -79.16 -10.31 59.79 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.337 -177.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -85.09 -44.52 12.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.777 0.323 . . . . 0.0 110.631 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.1 mp -76.4 -46.34 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.379 0.609 . . . . 0.0 110.011 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.709 HD12 ' HB2' ' A' ' 81' ' ' ASN . 39.3 mm -92.25 95.38 5.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.671 -178.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -80.84 -27.2 36.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.519 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -116.75 69.49 4.54 Favored Pre-proline 0 C--O 1.239 0.545 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.539 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -77.43 119.29 4.86 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.583 2.189 . . . . 0.0 112.018 174.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.532 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 28.7 tpp -134.93 150.22 50.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.27 176.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -134.84 149.06 50.29 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 -177.108 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.4 mt -57.03 -37.98 72.52 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.517 0.599 . . . . 0.0 111.928 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.4 p -59.69 -42.15 92.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.799 0.333 . . . . 0.0 110.469 177.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.532 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 2.2 m -72.52 -34.78 67.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.819 -178.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 52' ' ' ASP . 91.0 t -60.7 -47.37 93.34 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.365 0.602 . . . . 0.0 109.419 175.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.671 ' HG3' HD13 ' A' ' 14' ' ' LEU . 10.7 tttm -65.09 -40.84 95.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.933 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -55.41 -51.06 68.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.911 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -71.2 -30.83 66.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.966 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 29.3 ttm -66.13 -38.77 88.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.833 0.349 . . . . 0.0 110.215 173.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -66.28 -28.12 68.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.213 0.53 . . . . 0.0 110.731 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -84.66 -0.38 53.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.919 175.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 56.57 35.37 25.96 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.455 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.33 -12.54 60.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.818 176.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.507 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 1.0 OUTLIER -90.81 140.83 29.43 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.961 -177.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -94.92 -36.08 11.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -148.51 168.39 22.84 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 120.966 0.413 . . . . 0.0 110.177 -177.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 6' ' ' GLN . . . -67.19 -19.06 65.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.901 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -65.61 -41.0 93.25 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -67.89 -30.42 69.76 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.219 178.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.638 ' O ' HG12 ' A' ' 75' ' ' VAL . 4.2 t80 -66.37 -52.76 43.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.615 171.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 76' ' ' ARG . . . -54.06 -40.56 67.26 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.339 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.84 82.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.276 176.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.2 -46.31 51.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.795 -177.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.638 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.4 p -66.23 -41.07 88.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.705 0.288 . . . . 0.0 111.229 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 6.3 ptp180 -69.07 -28.39 66.47 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.072 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 mt -64.12 -36.29 83.54 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.152 0.501 . . . . 0.0 110.613 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.464 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . 12.0 tmm? -61.86 -51.17 69.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.562 175.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -59.7 -38.58 81.96 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.084 0.469 . . . . 0.0 110.565 176.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.1 m -61.25 -50.47 72.92 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.908 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.709 ' HB2' HD12 ' A' ' 47' ' ' ILE . 1.2 p-10 -67.22 -26.94 66.85 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.089 -174.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.448 ' SG ' ' HB ' ' A' ' 92' ' ' VAL . 27.8 t -63.84 -43.7 95.4 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.09 175.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -66.92 -24.36 66.08 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.746 0.307 . . . . 0.0 110.972 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -75.93 -47.69 24.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.188 -178.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.665 ' HB2' HD11 ' A' ' 47' ' ' ILE . 65.9 t80 -74.14 -56.15 5.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.104 0.478 . . . . 0.0 111.437 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -80.37 127.04 77.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.003 -171.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -64.66 159.28 45.89 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.535 2.156 . . . . 0.0 111.984 177.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -37.92 -46.28 2.02 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 124.808 3.672 . . . . 0.0 114.675 -175.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -95.44 84.63 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.323 0.583 . . . . 0.0 110.536 -178.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.593 ' O ' HG22 ' A' ' 93' ' ' VAL . 2.7 t-80 -156.51 154.93 31.12 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.307 176.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.95 -33.2 71.8 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -175.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.448 ' HB ' ' SG ' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -72.89 -24.64 21.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.694 -173.442 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 90' ' ' HIS . 19.1 m -75.68 -34.32 28.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.269 -0.572 . . . . 0.0 109.709 176.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.88 -43.39 65.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.879 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 60.9 mtm -65.47 -34.16 77.62 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 100' ' ' GLN . . . -68.81 -28.78 67.06 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.392 176.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 73.9 mtp180 -73.21 -47.29 44.77 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.907 0.384 . . . . 0.0 111.336 179.039 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 101' ' ' ASP . 59.3 tttp -67.11 -42.97 83.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.017 0.437 . . . . 0.0 111.001 -177.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.577 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -67.34 -26.3 66.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.114 174.249 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.606 ' O ' ' HB2' ' A' ' 104' ' ' GLU . 6.4 tp-100 -65.83 -33.25 75.42 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 174.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 98' ' ' LYS . 8.2 t70 -63.97 -53.91 42.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.068 178.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.45 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.5 p -60.72 -54.31 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.238 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -56.56 -37.12 70.12 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.61 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.606 ' HB2' ' O ' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -57.05 -58.44 8.17 Favored 'General case' 0 N--CA 1.456 -0.135 0 O-C-N 122.394 -0.191 . . . . 0.0 111.314 176.278 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -64.2 -29.69 70.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.606 -177.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 39.1 mmt180 -68.36 -46.36 70.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.73 0.3 . . . . 0.0 110.527 178.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -72.9 -27.4 61.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.342 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.09 74.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 0.0 111.031 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.37 -30.31 67.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.383 0.611 . . . . 0.0 109.777 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -66.53 123.82 86.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.031 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -86.54 143.48 7.4 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.186 1.924 . . . . 0.0 112.002 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.476 -175.076 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 53.9 m80 . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 17.6 m120 64.57 82.83 0.18 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.604 0.565 . . . . 0.0 110.77 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 283' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' B' ' 283' ' ' LEU . 2.6 pt? -69.67 99.79 1.38 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.713 0.768 . . . . 0.0 110.063 177.193 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 63.8 mt -73.54 144.53 46.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.129 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 285' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' B' ' 285' ' ' ARG . 8.3 mpt_? -68.7 107.19 2.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.388 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 286' ' ' ILE . . . . . 0.717 HD13 ' H ' ' B' ' 286' ' ' ILE . 0.2 OUTLIER -50.99 118.88 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.242 0.544 . . . . 0.0 111.787 -179.013 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 287' ' ' ALY . . . . . 0.506 ' HG2' HD11 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 288' ' ' GLN . . . . . 0.439 ' O ' ' HD1' ' B' ' 289' ' ' PHE . 61.2 tt0 -76.77 85.85 3.38 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 175.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 289' ' ' PHE . . . . . 0.439 ' HD1' ' O ' ' B' ' 288' ' ' GLN . 0.2 OUTLIER -148.86 97.84 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.783 -168.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 290' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' B' ' 291' ' ' GLN . 1.6 pt? -142.58 -52.22 0.39 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.487 175.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 291' ' ' GLN . . . . . 0.45 ' N ' ' HG ' ' B' ' 290' ' ' LEU . 12.0 mm-40 -143.86 137.06 27.66 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 177.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.405 -0.807 . . . . 0.0 109.65 -176.946 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 112.162 -0.375 . . . . 0.0 112.162 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -91.78 151.88 20.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.956 0.408 . . . . 0.0 111.361 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.4 mt -80.61 103.52 10.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.232 176.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.0 m -72.46 178.22 4.15 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 175.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -50.85 -45.15 59.69 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -175.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.524 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 1.6 mp0 -62.35 -45.49 92.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.602 -179.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.57 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 95.3 mt -78.76 -22.79 45.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.201 0.524 . . . . 0.0 111.36 -176.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -75.99 -35.16 59.7 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 173.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -70.52 -35.7 73.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.853 176.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' A' ' 7' ' ' LEU . 14.2 p -68.84 -29.35 67.66 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -65.73 -42.35 91.11 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.833 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.93 -41.72 71.4 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 115.527 -0.761 . . . . 0.0 112.509 -177.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.79 -52.14 65.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.387 . . . . 0.0 110.468 177.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.699 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.4 tt -55.26 -48.42 74.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.553 177.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -55.14 -40.03 70.1 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.988 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.431 ' CD ' ' HE ' ' A' ' 106' ' ' ARG . 28.5 tt0 -69.95 -44.56 69.3 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.69 -176.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.68 -22.76 67.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.673 176.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.1 mt -91.83 -8.93 45.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.821 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.0 m -75.53 148.83 38.62 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.301 0.572 . . . . 0.0 110.944 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -59.4 -19.58 48.27 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.314 -175.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -56.68 -37.27 70.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 174.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -107.98 -13.89 14.87 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.735 -177.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.89 -35.9 15.85 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -175.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.53 -22.69 13.77 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.186 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -141.78 19.56 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.005 0.431 . . . . 0.0 110.641 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.45 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -114.94 -13.01 11.95 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.092 178.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.59 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 68.9 p-90 -56.61 -34.2 24.16 Favored Pre-proline 0 CA--C 1.548 0.879 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -176.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.4 Cg_endo -53.83 -24.2 30.08 Favored 'Trans proline' 0 C--N 1.37 1.681 0 C-N-CA 121.479 1.453 . . . . 0.0 113.051 176.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.539 ' CD1' HD12 ' A' ' 99' ' ' LEU . 1.6 m-85 -110.2 -7.27 14.89 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -171.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -57.99 -57.4 12.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.761 0.315 . . . . 0.0 110.632 175.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -129.15 156.45 78.23 Favored Pre-proline 0 N--CA 1.449 -0.492 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.719 -175.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.34 136.54 69.34 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.036 2.49 . . . . 0.0 112.229 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.57 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -58.69 144.64 11.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.754 178.342 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.412 ' O ' HD12 ' A' ' 38' ' ' LEU . 8.2 m-20 -84.13 64.89 8.47 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -178.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.47 -44.17 35.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.85 -1.068 . . . . 0.0 112.677 -169.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.9 t -62.6 -38.05 88.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.071 0.462 . . . . 0.0 110.551 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.01 -30.07 62.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.816 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.573 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -91.85 9.89 30.92 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 119.868 -0.733 . . . . 0.0 111.0 178.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.05 15.89 81.07 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.569 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.573 ' HG ' ' HB2' ' A' ' 38' ' ' LEU . 9.6 mt -91.72 86.94 6.11 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.286 0.565 . . . . 0.0 110.37 -178.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -85.46 -4.31 59.12 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.424 -176.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' O ' HD13 ' A' ' 46' ' ' ILE . 4.1 m-20 -112.34 14.17 20.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.285 -173.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -65.2 -40.94 94.87 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -169.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -85.12 -5.55 59.33 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.515 -176.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -90.43 -25.91 20.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.896 0.379 . . . . 0.0 110.761 177.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.406 HD13 ' O ' ' A' ' 42' ' ' ASP . 1.9 mp -94.26 -45.26 13.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.118 0.485 . . . . 0.0 109.713 176.22 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.613 HG23 ' HB2' ' A' ' 81' ' ' ASN . 21.9 mm -85.08 105.76 14.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.185 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 61.8 mmtt -89.48 -27.63 20.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.011 0.434 . . . . 0.0 111.422 -178.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -121.19 70.91 21.98 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.685 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.0 108.12 1.66 Allowed 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.234 1.956 . . . . 0.0 111.493 175.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.687 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 30.6 tpp -133.24 148.01 51.98 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.129 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -135.75 153.56 51.52 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.3 mt -57.08 -39.82 75.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.204 0.456 . . . . 0.0 111.979 -175.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.0 m -62.04 -32.12 72.59 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.666 0.27 . . . . 0.0 111.089 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.687 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 2.1 m -78.13 -36.55 47.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.748 0.309 . . . . 0.0 110.559 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.0 t -59.2 -45.88 92.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.699 ' HG3' HD13 ' A' ' 14' ' ' LEU . 19.6 tttt -65.59 -41.25 93.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.155 179.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -54.45 -52.02 63.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.883 177.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -70.39 -28.16 64.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.623 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 28.7 ttm -69.64 -36.07 75.77 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 174.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 43.5 mt-10 -65.86 -32.71 74.39 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.73 177.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -81.54 -1.86 47.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.467 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 57.44 37.19 27.75 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 114.483 -1.235 . . . . 0.0 111.391 175.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.44 -20.27 62.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.839 175.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.51 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -82.71 145.05 29.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.051 -175.163 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.578 ' NE ' ' HA ' ' A' ' 66' ' ' ARG . 3.9 mmp_? -106.88 -29.66 9.35 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.954 176.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -148.85 166.34 28.8 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.524 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -71.18 -17.24 62.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.198 -178.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -67.44 -38.83 85.12 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -67.63 -35.29 78.64 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.912 177.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.661 ' O ' HG12 ' A' ' 75' ' ' VAL . 4.7 t80 -63.65 -53.79 45.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.463 172.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 76' ' ' ARG . . . -52.44 -43.52 64.94 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.462 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.89 -44.99 74.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.488 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -77.46 -44.08 30.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -174.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.4 p -68.0 -40.95 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.605 0.24 . . . . 0.0 111.347 -179.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 8.8 ptp180 -67.82 -30.53 69.97 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.12 -33.48 75.87 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 176.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.654 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 10.1 tmm? -62.72 -52.12 64.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.71 175.052 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -59.44 -36.98 76.96 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.237 0.541 . . . . 0.0 110.426 176.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.6 m -63.7 -44.41 93.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.914 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.654 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 12.0 p30 -66.81 -30.66 70.92 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.246 -0.581 . . . . 0.0 110.663 -177.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 14.4 t -61.61 -43.44 98.86 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.319 176.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -67.65 -25.5 65.75 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.257 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -67.05 -47.6 70.86 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.3 0.572 . . . . 0.0 110.409 178.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.535 ' HB2' HD11 ' A' ' 47' ' ' ILE . 68.3 t80 -77.72 -59.83 2.62 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.566 -171.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -84.05 130.49 54.57 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.468 -172.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -58.08 154.49 39.15 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.435 2.09 . . . . 0.0 111.772 176.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -46.95 -26.49 4.89 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 124.688 3.592 . . . . 0.0 115.025 -170.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -113.82 82.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.148 0.499 . . . . 0.0 110.316 176.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.714 ' O ' HG22 ' A' ' 93' ' ' VAL . 38.6 t-80 -150.04 147.62 28.04 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 175.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.78 -45.07 19.62 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -174.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -28.13 41.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -173.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 90' ' ' HIS . 11.2 m -79.56 -34.2 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.133 -179.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.86 -41.31 78.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.044 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 51.1 mtm -67.43 -35.61 79.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.436 177.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.82 -33.91 74.63 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.094 0.474 . . . . 0.0 110.583 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.511 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 59.2 ttt180 -76.41 -40.55 50.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.056 -176.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -66.15 -45.13 82.07 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.391 0.615 . . . . 0.0 110.411 178.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.539 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -64.11 -24.5 67.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.186 174.321 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.511 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 44.1 tt0 -64.11 -44.86 90.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 172.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.96 -45.37 71.31 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.57 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.633 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.7 p -70.52 -58.7 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.311 178.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.404 ' H ' HG13 ' A' ' 102' ' ' VAL . 4.6 t80 -53.01 -40.13 63.64 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -71.66 -43.17 66.55 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -176.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -64.66 -34.04 77.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.435 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 24.9 mmt180 -66.73 -46.13 76.43 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.392 178.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -69.74 -30.36 67.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.203 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.4 -38.36 84.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 176.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -75.12 -28.59 60.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.061 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -64.95 120.71 69.02 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.105 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -91.09 163.67 3.81 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 122.927 2.418 . . . . 0.0 112.413 175.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.838 176.191 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 84.7 t60 . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.646 0.26 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -106.27 104.72 14.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.878 0.37 . . . . 0.0 110.049 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 28.9 tp -107.31 44.17 1.1 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.727 0.775 . . . . 0.0 109.675 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 53.0 tp -113.05 135.98 53.19 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.73 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -56.3 127.69 32.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.069 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 16.4 pt -93.51 132.09 38.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.413 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 287' ' ' ALY . . . . . 0.57 ' NZ ' HG11 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 288' ' ' GLN . . . . . 0.434 ' HB2' HD23 ' A' ' 38' ' ' LEU . 50.5 mt-30 -73.94 67.99 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.064 0.459 . . . . 0.0 111.143 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -120.5 93.24 3.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.83 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 88.8 mt -123.6 103.2 8.28 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.01 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -74.28 103.01 4.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.984 0.421 . . . . 0.0 111.062 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 15.6 t . . . . . 0 C--O 1.246 0.902 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.164 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.891 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.494 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 72.7 mmtt -86.57 40.15 0.87 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.506 -0.408 . . . . 0.0 111.255 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.8 mt 65.38 100.8 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.562 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.4 m -73.79 177.77 5.28 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.442 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -49.44 -50.68 39.82 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.855 0.36 . . . . 0.0 111.952 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 1.3 mp0 -62.27 -41.8 98.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.767 -178.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.545 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 93.7 mt -77.79 -22.82 49.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.133 0.492 . . . . 0.0 111.305 -177.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -73.55 -35.67 65.55 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -72.73 -31.44 64.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.366 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.668 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 13.9 p -71.01 -28.12 64.18 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.06 -38.69 69.41 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.742 176.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.31 -48.3 46.39 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.971 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 106' ' ' ARG . 8.8 mt -61.74 -43.16 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 120.756 0.313 . . . . 0.0 111.268 178.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.697 HD13 ' HG3' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -58.28 -47.59 83.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.126 0.488 . . . . 0.0 109.966 176.158 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -54.3 -37.23 64.56 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.072 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -70.98 -47.43 58.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.533 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.41 HD22 HD13 ' A' ' 99' ' ' LEU . 17.9 mt -62.76 -25.47 68.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.268 0.556 . . . . 0.0 109.979 177.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.408 ' CD1' ' HD2' ' A' ' 57' ' ' LYS . 61.8 mt -90.06 -11.01 42.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.766 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.9 m -66.89 143.7 56.7 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.311 0.577 . . . . 0.0 110.821 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 23' ' ' ALA . 36.7 tptt -60.33 -23.61 64.36 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.894 -175.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -54.64 -38.23 66.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.132 174.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -104.15 -14.08 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.259 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -49.21 -34.51 14.93 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -175.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.42 -28.5 30.11 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.491 0.494 . . . . 0.0 111.904 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -135.34 18.87 3.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.106 0.479 . . . . 0.0 110.56 178.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.487 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -116.94 -15.5 10.62 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.452 178.308 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.61 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.1 p-90 -55.99 -35.62 36.79 Favored Pre-proline 0 CA--C 1.546 0.791 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -176.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 5.9 Cg_endo -56.17 -20.68 32.22 Favored 'Trans proline' 0 C--N 1.366 1.456 0 C-N-CA 121.685 1.59 . . . . 0.0 113.236 177.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CD1' HD12 ' A' ' 99' ' ' LEU . 5.2 m-85 -110.1 -9.1 14.73 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -172.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -54.89 -49.85 70.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.123 174.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -138.42 156.32 73.47 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.109 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.466 ' HD3' ' OD1' ' A' ' 52' ' ' ASP . 22.3 Cg_endo -60.29 152.74 64.51 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.053 2.502 . . . . 0.0 112.093 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.504 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 1.0 OUTLIER -65.97 149.34 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.021 -174.204 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -84.09 67.46 9.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.025 -177.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.511 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -54.38 -35.69 63.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.209 -174.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.8 m -63.44 -40.4 97.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.027 0.441 . . . . 0.0 110.601 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.92 -27.66 30.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.268 0.556 . . . . 0.0 110.748 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.476 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 36.5 mt -81.76 -9.06 59.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.361 -177.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.09 5.96 89.26 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.059 -0.591 . . . . 0.0 111.896 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.511 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 10.9 mt -86.15 77.16 9.64 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.096 0.474 . . . . 0.0 110.363 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -67.91 -17.57 64.51 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.981 -173.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.41 26.64 10.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.397 -173.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -64.83 -39.41 93.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.407 -176.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -78.71 -10.99 59.96 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.539 -178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -84.79 -33.01 23.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.019 0.438 . . . . 0.0 110.773 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 mp -88.35 -44.55 15.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 176.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.568 HG23 ' HB2' ' A' ' 81' ' ' ASN . 22.9 mm -86.59 103.1 12.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.239 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -86.25 -28.1 24.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -123.01 69.39 37.79 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.267 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.2 107.58 1.78 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.418 2.079 . . . . 0.0 111.844 176.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.486 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 30.0 tpp -130.58 150.63 51.7 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.684 -179.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.466 ' OD1' ' HD3' ' A' ' 32' ' ' PRO . 4.5 p-10 -137.76 156.8 47.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.118 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.2 mt -64.01 -26.22 68.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.37 -173.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.2 t -71.06 -40.81 71.41 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.486 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 23.7 m -73.22 -34.36 65.88 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.234 177.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 52' ' ' ASP . 95.8 t -58.48 -47.41 88.32 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.697 ' HG3' HD13 ' A' ' 14' ' ' LEU . 17.8 tttt -65.92 -39.28 90.41 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.218 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -55.8 -53.13 60.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.04 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' CB ' ' HE2' ' A' ' 65' ' ' TYR . 6.3 mtpm? -68.71 -25.86 64.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.101 0.477 . . . . 0.0 110.272 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 27.6 ttm -71.39 -37.64 71.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.409 173.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.58 -29.08 69.06 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.019 0.438 . . . . 0.0 110.665 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -81.55 -3.26 52.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.521 0.677 . . . . 0.0 109.187 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.494 ' NH1' ' HA ' ' A' ' 2' ' ' LYS . 21.1 mmt85 57.2 33.86 23.95 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.517 175.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -75.75 -18.19 59.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.531 176.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.504 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.8 OUTLIER -78.2 140.25 38.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.767 178.794 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -102.03 -34.28 9.39 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.32 176.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -138.25 160.16 40.17 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -172.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 6' ' ' GLN . . . -71.21 -16.78 62.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.234 0.54 . . . . 0.0 109.767 178.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -69.62 -38.76 77.37 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.227 176.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -65.8 -33.49 75.98 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.779 176.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.668 ' CG ' ' HB2' ' A' ' 10' ' ' CYS . 4.0 t80 -65.11 -53.29 47.53 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.705 172.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.436 ' HA ' ' CG1' ' A' ' 75' ' ' VAL . . . -54.41 -39.4 67.26 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.074 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.406 ' HA ' ' NE ' ' A' ' 76' ' ' ARG . . . -56.56 -45.07 81.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.269 176.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.29 -50.18 29.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.865 0.364 . . . . 0.0 111.277 -177.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.6 p -64.85 -41.04 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.664 -177.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' A' ' 73' ' ' ALA . 22.9 ptt180 -70.02 -29.1 66.07 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.174 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.51 -30.74 71.54 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.963 0.411 . . . . 0.0 110.08 175.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.649 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 11.4 tmm? -64.95 -48.72 73.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.341 174.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -61.82 -36.34 80.86 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.12 0.486 . . . . 0.0 110.793 175.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.2 m -64.89 -46.77 80.36 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.738 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.649 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 11.4 p30 -66.26 -30.81 71.31 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.697 -177.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 4.3 t -58.23 -50.01 75.07 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.785 174.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -65.63 -24.07 66.96 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.972 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 81' ' ' ASN . 2.7 mmmt -62.59 -53.69 50.87 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.396 0.617 . . . . 0.0 110.594 175.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.615 ' HD2' ' ND2' ' A' ' 86' ' ' ASN . 61.9 t80 -79.21 -44.14 22.43 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.419 -170.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.615 ' ND2' ' HD2' ' A' ' 85' ' ' TYR . 3.9 m120 -92.5 127.43 48.5 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.617 -170.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -65.35 157.36 58.3 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.416 2.077 . . . . 0.0 111.2 174.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -50.86 -21.99 9.29 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 124.483 3.455 . . . . 0.0 114.428 -170.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -111.43 83.92 1.86 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.636 0.255 . . . . 0.0 110.738 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.616 ' O ' HG22 ' A' ' 93' ' ' VAL . 2.9 t-80 -160.64 159.52 30.49 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 174.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.592 ' OD2' HG22 ' A' ' 92' ' ' VAL . 2.1 p30 -51.77 -52.01 52.05 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.592 HG22 ' OD2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -66.92 -21.62 28.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -169.519 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.616 HG22 ' O ' ' A' ' 90' ' ' HIS . 17.4 m -80.09 -34.26 14.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 119.896 -0.722 . . . . 0.0 109.406 175.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.85 -42.8 73.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.374 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.47 ' SD ' ' HG3' ' A' ' 28' ' ' PRO . 64.0 mtm -68.06 -35.54 78.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.245 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.57 -32.87 73.92 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 120.667 0.27 . . . . 0.0 110.573 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.606 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 19.6 mtm180 -70.69 -48.06 56.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.731 0.301 . . . . 0.0 110.825 178.291 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -66.31 -44.46 83.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.078 0.466 . . . . 0.0 111.011 -176.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.57 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -66.27 -24.7 66.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.242 174.837 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.478 ' O ' ' HB3' ' A' ' 104' ' ' GLU . 4.6 tp-100 -64.66 -43.86 92.26 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -56.47 -50.87 70.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.421 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 99' ' ' LEU . 1.5 p -62.74 -54.15 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.448 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -55.21 -39.14 69.3 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.576 0.226 . . . . 0.0 111.311 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.478 ' HB3' ' O ' ' A' ' 100' ' ' GLN . 6.2 tt0 -75.97 -37.33 58.68 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 120.621 0.248 . . . . 0.0 110.711 -176.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -70.23 -36.98 74.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.172 0.511 . . . . 0.0 110.235 176.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.407 ' HB3' ' CD1' ' A' ' 13' ' ' ILE . 15.0 mmt180 -65.24 -45.88 82.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.048 177.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -68.44 -27.01 65.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.131 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.42 -36.72 83.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.026 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -79.16 -21.22 46.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.244 0.545 . . . . 0.0 109.917 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -69.3 122.02 84.04 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.65 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -85.02 156.63 11.38 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.39 2.06 . . . . 0.0 112.312 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.773 -0.632 . . . . 0.0 110.66 -177.572 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 111.3 0.111 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -81.91 -72.98 0.41 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.73 0.3 . . . . 0.0 110.267 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 55.3 tp -103.62 117.22 33.9 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 284' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' B' ' 284' ' ' LEU . 4.2 mm? -82.78 137.39 34.37 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.272 0.558 . . . . 0.0 111.766 -175.117 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 285' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' B' ' 285' ' ' ARG . 42.6 mtt180 -72.26 127.97 34.19 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.41 174.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 16.5 pt -84.19 135.03 25.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 C-N-CA 120.221 -0.592 . . . . 0.0 109.68 177.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 287' ' ' ALY . . . . . 0.544 ' HE2' HD21 ' A' ' 86' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -80.32 61.57 4.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.954 0.407 . . . . 0.0 111.36 -177.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -88.96 104.57 17.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.441 0.639 . . . . 0.0 110.609 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 25.6 tp -157.92 152.79 25.27 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.341 -0.845 . . . . 0.0 108.758 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -86.35 70.69 10.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.471 0.653 . . . . 0.0 110.054 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.25 1.125 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.274 -179.942 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 111.856 -0.498 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 59.92 55.81 3.69 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 122.549 0.34 . . . . 0.0 110.609 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.45 ' HG ' ' CZ ' ' A' ' 63' ' ' ARG . 97.4 mt 61.52 95.66 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.221 -176.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.4 t -73.88 -179.92 3.95 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.42 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -51.86 -44.95 63.89 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -171.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.468 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 1.6 mp0 -65.97 -44.06 86.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.826 0.346 . . . . 0.0 110.458 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.63 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 95.4 mt -76.85 -27.61 55.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.125 0.488 . . . . 0.0 111.356 -176.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -72.75 -33.98 66.7 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -71.73 -37.28 70.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.79 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.63 ' SG ' ' HA ' ' A' ' 7' ' ' LEU . 14.5 p -68.29 -29.43 68.2 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.068 178.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -66.61 -40.18 88.71 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.944 176.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.25 -42.42 57.57 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.417 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.94 -50.65 78.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.052 0.453 . . . . 0.0 110.457 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.704 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.3 tt -54.96 -47.67 74.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.859 176.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -55.94 -37.43 68.96 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.22 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -74.17 -42.41 59.94 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.676 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.59 -20.89 66.52 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.9 mt -92.08 -13.44 30.83 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.193 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 76.8 p -68.85 154.14 42.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.345 0.593 . . . . 0.0 111.283 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -63.69 -17.31 62.85 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.087 -177.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -60.47 -37.32 80.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.904 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -108.07 -11.87 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.86 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.21 -34.73 15.44 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -174.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.06 -29.55 44.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.812 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -134.92 19.95 3.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.148 0.499 . . . . 0.0 110.882 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.434 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -114.73 -12.93 12.1 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.065 177.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.607 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.7 p-90 -55.93 -35.0 29.68 Favored Pre-proline 0 CA--C 1.547 0.834 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -177.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.1 Cg_endo -54.62 -22.36 28.18 Favored 'Trans proline' 0 C--N 1.369 1.633 0 C-N-CA 121.785 1.657 . . . . 0.0 113.092 177.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.542 ' CD1' HD12 ' A' ' 99' ' ' LEU . 2.2 m-85 -112.27 -8.22 13.96 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -171.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -56.72 -53.97 51.59 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.971 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -134.23 157.03 78.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.493 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.62 135.4 66.67 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.103 2.535 . . . . 0.0 111.914 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.434 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -60.14 146.55 10.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.964 -177.073 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -87.68 66.96 9.1 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -177.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -48.73 -46.09 40.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.383 -171.172 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -60.05 -38.89 84.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.807 0.337 . . . . 0.0 111.092 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.96 -17.1 57.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.886 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.542 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -103.31 6.99 38.33 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 120.09 -0.644 . . . . 0.0 111.099 178.218 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.03 6.48 88.84 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 121.169 -0.539 . . . . 0.0 112.777 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.542 ' HG ' ' HB2' ' A' ' 38' ' ' LEU . 7.2 mt -87.85 89.4 7.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.916 0.388 . . . . 0.0 110.336 -177.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -85.33 3.51 39.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.668 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -126.85 21.96 6.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.919 -173.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -71.91 -40.6 68.72 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.636 0.255 . . . . 0.0 111.611 -172.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -83.17 -3.96 57.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.744 0.307 . . . . 0.0 111.004 -175.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -89.55 -46.86 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.083 0.468 . . . . 0.0 110.337 175.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -73.5 -44.31 54.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.272 0.558 . . . . 0.0 109.7 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.697 HD12 ' HB2' ' A' ' 81' ' ' ASN . 40.2 mm -92.87 98.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.822 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -84.88 -22.08 29.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.322 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.533 ' ND1' HD22 ' A' ' 77' ' ' LEU . 9.2 p80 -120.63 69.25 16.14 Favored Pre-proline 0 CA--C 1.541 0.598 0 CA-C-O 120.701 0.286 . . . . 0.0 111.724 174.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.29 117.9 5.01 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.746 2.298 . . . . 0.0 112.435 175.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.592 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 29.6 tpp -133.28 149.28 51.95 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.291 178.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.26 148.12 51.96 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 -176.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.9 mt -57.53 -38.56 74.89 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.65 0.659 . . . . 0.0 112.158 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.3 m -64.0 -29.81 70.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.931 0.396 . . . . 0.0 111.077 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.592 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 2.8 m -80.44 -34.79 35.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.493 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.4 t -60.4 -47.13 93.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-O 121.445 0.64 . . . . 0.0 109.287 175.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.704 ' HG3' HD13 ' A' ' 14' ' ' LEU . 18.4 tttt -64.26 -40.51 96.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.763 179.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -54.14 -50.6 66.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.223 177.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -74.67 -29.81 61.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.682 -177.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 29.3 ttm -65.09 -37.99 89.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.294 171.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 43.5 mt-10 -64.73 -31.58 72.86 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.062 0.458 . . . . 0.0 110.699 177.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -83.69 -0.73 51.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.771 177.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.45 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 17.2 mmt85 57.25 33.13 22.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.566 176.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.02 -23.21 65.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.317 175.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.545 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -84.16 143.52 29.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.672 -176.872 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -104.07 -31.92 9.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.949 0.404 . . . . 0.0 110.205 175.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -141.91 165.91 26.15 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.929 -175.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.468 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -73.21 -16.07 61.42 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.371 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -74.45 -26.18 59.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.38 177.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -76.41 -31.76 58.12 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.327 173.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.594 ' O ' HG12 ' A' ' 75' ' ' VAL . 5.7 t80 -65.19 -51.72 59.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.728 171.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.541 ' O ' ' HB3' ' A' ' 76' ' ' ARG . . . -55.71 -36.8 67.58 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.515 178.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.27 85.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.95 176.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.31 -52.96 13.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.971 -177.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 71' ' ' PHE . 3.5 p -64.78 -37.29 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 120.71 0.291 . . . . 0.0 111.388 -176.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.541 ' HB3' ' O ' ' A' ' 72' ' ' ALA . 32.2 ttt180 -73.25 -29.86 63.05 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 120.399 -0.52 . . . . 0.0 109.997 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.533 HD22 ' ND1' ' A' ' 49' ' ' HIS . 4.1 mt -60.1 -36.51 77.58 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.287 0.565 . . . . 0.0 110.877 173.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.496 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . 9.8 tmm? -63.29 -53.13 57.56 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.18 176.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -58.84 -39.57 81.67 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.253 0.549 . . . . 0.0 110.456 176.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.4 t -60.06 -51.62 68.86 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.621 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.697 ' HB2' HD12 ' A' ' 47' ' ' ILE . 0.8 OUTLIER -65.88 -28.11 68.71 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.888 -174.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.439 ' SG ' ' HB ' ' A' ' 92' ' ' VAL . 19.3 t -63.79 -43.09 97.36 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.442 176.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -66.3 -24.8 66.61 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.782 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -74.94 -46.9 32.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.462 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.629 ' HB2' HD11 ' A' ' 47' ' ' ILE . 88.7 t80 -75.37 -53.23 9.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.186 0.517 . . . . 0.0 111.033 -176.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -88.51 129.39 49.33 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.793 -172.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -64.36 151.43 85.5 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.219 1.946 . . . . 0.0 110.699 174.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.69 -21.18 14.14 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 124.245 3.297 . . . . 0.0 113.626 -173.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -94.09 70.39 3.89 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.41 ' O ' HG22 ' A' ' 93' ' ' VAL . 3.7 t-80 -156.84 162.62 39.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.271 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -69.13 -46.5 67.49 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.439 ' HB ' ' SG ' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -63.86 -28.4 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -171.077 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 90' ' ' HIS . 22.9 m -75.93 -34.07 26.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.635 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.31 -42.3 68.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.008 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 57.2 mtm -66.62 -38.28 86.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.482 177.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.42 -31.87 72.9 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 120.916 0.389 . . . . 0.0 110.317 178.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 42.9 ttp180 -74.35 -43.15 57.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.953 -178.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.406 ' HA ' ' OD2' ' A' ' 101' ' ' ASP . 85.3 tttt -70.31 -41.72 72.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.537 -177.104 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.542 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -67.03 -28.6 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.104 172.704 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.462 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 7.2 tp60 -61.45 -41.71 97.64 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.406 ' OD2' ' HA ' ' A' ' 98' ' ' LYS . 71.6 m-20 -56.04 -51.91 66.12 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.97 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.598 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.7 p -65.46 -55.15 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.462 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -54.08 -43.9 70.72 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.95 -33.13 70.17 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.184 -175.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -69.53 -38.12 77.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.216 178.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 27.5 mmt180 -64.97 -45.95 83.55 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.245 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -68.83 -29.92 68.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.197 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.42 -32.84 73.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.565 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.03 -11.08 33.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.343 0.592 . . . . 0.0 110.359 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -73.6 125.61 90.42 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.914 175.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -81.52 144.15 14.04 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 121.617 1.545 . . . . 0.0 112.12 175.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.9 t70 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.231 -176.147 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 67.69 100.44 0.05 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.92 0.762 . . . . 0.0 110.651 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 56.8 tp -80.07 80.16 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.387 0.613 . . . . 0.0 110.195 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 53.2 tp -69.41 135.67 50.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.234 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -70.97 149.77 46.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.31 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 286' ' ' ILE . . . . . 0.642 HD13 ' H ' ' B' ' 286' ' ' ILE . 0.1 OUTLIER -98.01 133.6 39.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.097 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 287' ' ' ALY . . . . . 0.499 ' HG2' HD11 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -78.77 65.2 3.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.496 0.665 . . . . 0.0 110.678 -176.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -112.24 24.24 12.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.246 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 6.7 mp -86.87 76.36 9.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.777 -179.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -90.24 -62.73 1.4 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.909 -176.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 40.0 m . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.555 -0.736 . . . . 0.0 110.594 -177.594 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 112.2 -0.36 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.462 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 47.3 mmtm 59.83 43.28 15.33 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 122.796 0.438 . . . . 0.0 111.322 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.522 ' HG ' ' CZ ' ' A' ' 63' ' ' ARG . 93.1 mt 67.93 106.13 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.169 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.0 m -66.34 170.72 5.61 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 174.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -56.43 -39.48 73.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 117.856 0.298 . . . . 0.0 111.258 -176.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.482 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 1.8 mp0 -59.89 -47.55 85.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.092 175.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.642 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 95.9 mt -73.91 -24.45 59.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.109 0.48 . . . . 0.0 111.564 -175.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -72.2 -36.0 69.09 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.93 -32.15 65.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.089 177.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.679 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 13.9 p -71.78 -27.25 62.83 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -72.78 -37.99 67.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.773 176.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.94 -50.36 41.5 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.694 -178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 106' ' ' ARG . 12.7 mt -59.83 -43.24 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 120.754 0.311 . . . . 0.0 111.333 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.708 HD13 ' HG3' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -57.0 -47.26 81.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.274 176.655 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -55.52 -40.65 72.06 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.848 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -65.28 -46.39 80.63 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.581 -177.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.6 mt -64.78 -23.34 67.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.944 177.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 67.8 mt -93.29 -6.67 46.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.89 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 m -73.76 145.21 45.26 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.119 0.485 . . . . 0.0 110.755 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HA ' ' HB2' ' A' ' 23' ' ' ALA . 33.0 tptt -60.71 -20.59 61.48 Favored 'General case' 0 C--N 1.335 -0.055 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.896 -175.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -54.83 -36.49 65.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.103 173.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -107.53 -13.45 15.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.834 -176.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.418 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -50.53 -33.07 20.22 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.81 -24.29 35.19 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.473 0.483 . . . . 0.0 111.668 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -139.11 19.91 2.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.996 0.427 . . . . 0.0 110.647 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.52 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -117.95 -13.55 10.04 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.548 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.612 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 69.5 p-90 -55.64 -34.61 26.46 Favored Pre-proline 0 CA--C 1.546 0.819 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -176.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.3 Cg_endo -53.9 -26.11 38.5 Favored 'Trans proline' 0 C--N 1.367 1.514 0 C-N-CA 121.608 1.539 . . . . 0.0 113.068 177.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.587 ' CD1' HD12 ' A' ' 99' ' ' LEU . 2.0 m-85 -108.84 -8.86 15.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.751 -172.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -54.28 -55.77 25.03 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.661 0.267 . . . . 0.0 111.244 176.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -133.89 155.58 80.12 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.236 -177.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 9.9 Cg_endo -52.98 139.75 60.36 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.038 2.492 . . . . 0.0 112.543 -178.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.514 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -59.58 147.68 8.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.763 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -89.68 66.4 7.15 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.6 -40.89 63.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.939 -169.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.9 m -64.55 -41.58 96.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.857 0.36 . . . . 0.0 110.932 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.09 -24.77 55.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.445 0.64 . . . . 0.0 110.541 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.459 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 33.0 mt -80.96 -6.18 58.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.048 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.86 6.5 89.07 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.017 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.459 ' HG ' ' CB ' ' A' ' 38' ' ' LEU . 11.6 mt -83.45 89.63 7.08 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.142 0.496 . . . . 0.0 109.736 -177.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -75.53 -11.58 60.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.851 -170.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -137.21 43.46 2.34 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.195 0.522 . . . . 0.0 110.889 -176.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -66.74 -38.7 87.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.776 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -81.4 -0.94 43.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.935 0.397 . . . . 0.0 111.583 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.32 -39.47 10.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.93 0.395 . . . . 0.0 110.473 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.68 -42.78 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.52 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.645 HD11 ' HB2' ' A' ' 85' ' ' TYR . 19.6 mm -86.97 120.54 36.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -178.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 61.5 mmtt -92.52 -30.24 15.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.641 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -125.49 72.27 66.81 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.304 176.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.29 106.19 0.98 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.321 2.014 . . . . 0.0 111.882 176.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.622 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 30.4 tpp -133.51 149.53 51.71 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.368 -178.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' OD2' ' HA ' ' A' ' 32' ' ' PRO . 5.0 m-20 -138.32 153.24 49.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.2 mt -57.4 -39.54 76.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 118.476 0.58 . . . . 0.0 112.108 -175.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.1 p -60.65 -35.6 76.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.856 0.36 . . . . 0.0 111.041 177.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.622 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 1.9 m -76.66 -35.81 57.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.558 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.1 t -60.26 -46.98 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.708 ' HG3' HD13 ' A' ' 14' ' ' LEU . 16.5 tttt -65.78 -39.97 91.51 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.152 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -54.19 -54.88 33.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.859 176.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -68.82 -30.38 68.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.591 -177.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 28.8 ttm -65.85 -40.08 91.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.444 173.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 39.5 mt-10 -66.89 -31.35 71.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.098 0.475 . . . . 0.0 110.751 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -81.02 -3.76 52.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.476 0.655 . . . . 0.0 109.557 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.522 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 14.3 mmt85 59.77 37.6 21.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 114.35 -1.296 . . . . 0.0 111.764 177.139 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.97 -22.24 64.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.512 171.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.513 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -86.42 140.31 30.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.192 -175.758 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -102.06 -32.82 9.96 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.727 176.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -140.64 159.87 41.26 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -173.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.482 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -69.4 -17.31 63.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.967 0.413 . . . . 0.0 109.926 179.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -72.29 -32.73 66.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.855 177.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -67.6 -34.55 77.23 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 173.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CG ' ' HB2' ' A' ' 10' ' ' CYS . 5.5 t80 -64.94 -53.56 44.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.804 173.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.413 ' HA ' ' CG1' ' A' ' 75' ' ' VAL . . . -56.09 -37.28 69.15 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.469 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 77' ' ' LEU . . . -56.73 -48.54 77.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.914 175.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -77.48 -42.32 36.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.681 -173.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 71' ' ' PHE . 3.6 p -68.2 -42.67 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -178.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -71.97 -27.92 63.09 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.772 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -63.99 -32.26 73.74 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.266 174.247 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.646 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 8.1 tmm? -64.58 -52.39 57.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.339 176.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -60.52 -33.95 73.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.998 0.427 . . . . 0.0 110.821 176.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.2 t -63.97 -47.25 81.12 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.282 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.646 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 11.0 p30 -68.4 -24.79 64.8 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.865 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.418 ' SG ' HH32 ' B' ' 287' ' ' ALY . 62.6 m -63.95 -47.28 81.07 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 176.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -68.14 -23.88 64.93 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.175 0.512 . . . . 0.0 110.199 177.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -33.97 62.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.293 -176.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.645 ' HB2' HD11 ' A' ' 47' ' ' ILE . 67.9 t80 -93.2 -51.4 5.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.573 178.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.565 ' ND2' ' HB ' ' A' ' 92' ' ' VAL . 17.0 m-20 -80.94 130.38 63.75 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 122.311 -0.243 . . . . 0.0 110.465 -174.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.87 159.08 39.5 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.647 2.231 . . . . 0.0 111.982 176.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -49.89 -25.19 11.63 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 124.631 3.554 . . . . 0.0 114.761 -169.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -118.02 93.26 4.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.161 0.505 . . . . 0.0 110.694 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.613 ' O ' HG22 ' A' ' 93' ' ' VAL . 18.1 t-80 -161.65 154.36 20.33 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -53.04 -44.38 67.37 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.565 ' HB ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -65.46 -28.74 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -172.008 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 90' ' ' HIS . 13.0 m -80.88 -34.55 13.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.344 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.97 -40.22 78.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.224 176.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 50.5 mtm -68.29 -33.16 73.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.96 175.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.23 -46.89 78.77 Favored 'General case' 0 C--O 1.227 -0.106 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.529 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 62.5 mtt180 -59.05 -46.29 88.63 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.514 -179.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 101' ' ' ASP . 84.2 tttt -70.04 -42.85 72.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.108 -176.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.587 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -67.01 -31.87 72.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.54 174.667 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -67.24 -28.53 68.13 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 98' ' ' LYS . 15.4 t70 -66.2 -47.92 72.33 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.227 178.092 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.413 HG12 ' H ' ' A' ' 102' ' ' VAL . 0.6 OUTLIER -64.03 -55.82 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.735 177.815 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -50.7 -42.39 56.96 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 177.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -70.25 -36.86 74.75 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.107 -173.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -81.48 -27.3 34.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.745 0.307 . . . . 0.0 111.002 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.438 ' HB3' ' CD1' ' A' ' 13' ' ' ILE . 15.1 mmt180 -65.67 -46.35 79.42 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.25 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -71.85 -25.34 61.92 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.349 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.42 -38.98 78.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.999 0.428 . . . . 0.0 110.564 176.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -24.66 61.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.668 177.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -70.48 118.91 68.92 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.846 177.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -92.61 161.58 2.88 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 122.908 2.406 . . . . 0.0 112.266 175.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.755 175.12 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 110.557 -0.164 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -63.55 -52.47 60.97 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 176.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 2.7 pp -91.3 158.44 16.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 173.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 66.7 tp -154.2 135.73 14.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.625 0.25 . . . . 0.0 110.55 -175.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 285' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' B' ' 285' ' ' ARG . 41.7 mtt180 -58.98 120.15 8.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.883 177.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 28.2 pt -77.6 130.27 36.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.317 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 287' ' ' ALY . . . . . 0.514 ' NZ ' HG11 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -76.29 65.38 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.403 0.621 . . . . 0.0 111.688 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -103.92 30.33 5.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.299 -0.864 . . . . 0.0 108.682 170.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 74.2 mt -85.6 94.33 9.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.291 -175.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -79.32 87.87 4.98 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 9.2 p . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.324 -0.846 . . . . 0.0 110.931 -177.479 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 0.1 OUTLIER 60.77 38.62 18.01 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.665 0.386 . . . . 0.0 110.962 177.396 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 7' ' ' LEU . 83.2 mt 72.69 123.84 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.952 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.2 t -77.22 171.05 15.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.303 173.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -55.44 -47.7 75.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.978 0.418 . . . . 0.0 110.609 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.464 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 1.4 mp0 -57.55 -40.07 78.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.205 179.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.652 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 96.4 mt -79.37 -25.3 42.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.36 -177.101 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -71.29 -37.65 71.85 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 173.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.44 ' O ' HG13 ' A' ' 13' ' ' ILE . 1.8 t60 -70.6 -35.13 72.83 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.846 177.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.652 ' SG ' ' HA ' ' A' ' 7' ' ' LEU . 14.2 p -69.89 -29.18 66.31 Favored 'General case' 0 C--N 1.334 -0.07 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.989 177.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -67.95 -39.73 83.35 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.187 0.518 . . . . 0.0 109.738 176.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.01 -42.31 52.3 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.542 -0.753 . . . . 0.0 112.542 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.537 HG12 ' HB3' ' A' ' 106' ' ' ARG . 94.1 mt -61.64 -45.19 99.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.948 0.404 . . . . 0.0 110.443 177.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.697 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -58.94 -44.11 91.33 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.257 177.42 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -56.56 -36.86 69.78 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.783 177.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.42 -47.25 76.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.366 -178.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.422 HD22 HD13 ' A' ' 99' ' ' LEU . 14.4 mt -69.15 -24.86 64.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.234 0.54 . . . . 0.0 109.842 -178.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.0 mt -88.32 -9.97 51.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.743 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.6 m -68.94 143.7 54.37 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.126 0.489 . . . . 0.0 110.948 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 23' ' ' ALA . 31.4 mmtm -58.42 -20.03 41.27 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.004 177.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -55.72 -35.83 66.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.172 173.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -111.72 -12.5 13.86 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.025 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.423 ' HB2' ' HA ' ' A' ' 20' ' ' LYS . . . -48.86 -34.29 12.29 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -176.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.19 -18.39 15.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.873 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -144.95 21.92 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.072 0.463 . . . . 0.0 110.778 176.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.488 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -119.74 -11.66 9.35 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.586 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.575 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.4 p-90 -57.04 -35.92 40.9 Favored Pre-proline 0 CA--C 1.546 0.794 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -175.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 2.8 Cg_endo -55.23 -21.59 29.17 Favored 'Trans proline' 0 C--N 1.368 1.57 0 C-N-CA 121.481 1.454 . . . . 0.0 113.293 177.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.597 ' CD1' HD12 ' A' ' 99' ' ' LEU . 4.8 m-85 -108.59 -10.18 15.25 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -171.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -54.47 -52.53 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.232 -0.187 . . . . 0.0 111.108 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -134.63 160.27 69.07 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.192 177.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.51 ' HD3' ' OD2' ' A' ' 52' ' ' ASP . 13.8 Cg_endo -56.27 146.67 70.89 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.635 2.223 . . . . 0.0 111.258 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.479 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -62.98 143.63 15.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.883 -177.249 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -83.54 68.89 9.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.118 -176.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.626 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -53.87 -33.05 55.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.59 -176.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 m -61.4 -39.86 92.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.033 0.444 . . . . 0.0 110.948 177.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.73 -25.13 21.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.251 0.548 . . . . 0.0 110.943 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.459 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 36.4 mt -83.73 -4.96 59.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.395 -177.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.42 8.74 87.08 Favored Glycine 0 C--N 1.33 0.196 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.986 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.626 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 13.4 mt -86.2 80.45 8.76 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.296 0.569 . . . . 0.0 110.823 -177.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -70.81 -15.67 62.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.402 -176.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.68 22.82 14.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -173.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -64.81 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.942 -177.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -86.15 1.28 51.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.853 0.359 . . . . 0.0 111.158 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -92.64 -45.78 7.91 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.935 HG22 HD13 ' A' ' 47' ' ' ILE . 1.9 mp -75.19 -44.2 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.374 179.284 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.935 HD13 HG22 ' A' ' 46' ' ' ILE . 14.7 mm -94.74 108.28 20.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.975 -174.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 25.0 mmtp -89.61 -22.82 22.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.677 -176.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.3 m170 -123.66 60.12 18.55 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.739 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.09 111.98 2.38 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.547 2.165 . . . . 0.0 112.628 -177.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.506 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 30.8 tpp -134.45 152.09 51.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.561 -178.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.585 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.5 p-10 -138.89 162.92 33.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.635 178.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.3 mt -63.44 -35.74 81.44 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -175.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.8 t -64.42 -40.7 96.28 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.766 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.506 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 21.3 m -72.9 -32.95 65.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.425 0.155 . . . . 0.0 111.063 177.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 52' ' ' ASP . 86.8 t -60.04 -46.25 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.336 0.589 . . . . 0.0 109.417 175.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.697 ' HG3' HD13 ' A' ' 14' ' ' LEU . 19.8 tttt -65.48 -42.32 92.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.853 177.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -54.4 -50.53 67.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.096 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -71.86 -31.91 66.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.723 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.7 ttm -62.55 -39.0 92.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.236 172.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 48.8 mt-10 -67.6 -31.71 71.94 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.941 0.401 . . . . 0.0 110.96 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -80.48 -1.81 43.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.495 0.664 . . . . 0.0 109.392 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 58.01 35.13 24.97 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 114.181 -1.372 . . . . 0.0 111.587 175.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.45 -22.76 61.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.106 173.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.517 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -81.23 143.48 32.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.187 179.487 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.525 ' HB3' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -108.97 -27.86 9.44 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.727 0.299 . . . . 0.0 110.363 176.393 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -143.24 165.39 27.58 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.922 0.392 . . . . 0.0 110.022 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.464 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -72.08 -16.12 62.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.248 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -68.89 -39.05 79.97 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.525 ' OE1' ' HB3' ' A' ' 66' ' ' ARG . 44.4 mt-10 -66.74 -33.49 75.76 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.164 176.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.604 ' O ' HG12 ' A' ' 75' ' ' VAL . 6.1 t80 -64.23 -53.55 47.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.766 172.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.61 -40.86 66.07 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.158 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.71 -46.43 81.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.287 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.45 -50.7 43.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.972 0.415 . . . . 0.0 111.532 -177.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.604 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.6 p -66.38 -41.25 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.616 -176.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -69.79 -28.48 65.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.851 0.358 . . . . 0.0 110.327 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -43.12 99.38 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.0 tmm? -57.99 -48.97 78.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.967 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -59.8 -38.99 83.49 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.21 0.529 . . . . 0.0 110.717 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 84' ' ' LYS . 48.7 m -62.04 -37.74 86.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.036 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -64.65 -34.32 78.01 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.106 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.4 t -64.31 -47.23 80.21 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.412 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -69.8 -21.26 63.41 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.341 0.591 . . . . 0.0 110.172 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -79.89 -31.49 40.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.668 -178.127 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.622 ' HB2' HD11 ' A' ' 47' ' ' ILE . 69.6 t80 -93.13 -58.33 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.236 0.541 . . . . 0.0 111.319 178.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.484 ' OD1' ' HD2' ' A' ' 85' ' ' TYR . 50.8 m-20 -77.38 140.23 64.73 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.687 -172.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -64.0 153.7 74.47 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 121.999 1.799 . . . . 0.0 110.298 170.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -49.72 -21.42 5.61 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 124.411 3.407 . . . . 0.0 114.596 -170.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -120.82 94.95 4.51 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.496 0.665 . . . . 0.0 110.871 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.631 ' O ' HG22 ' A' ' 93' ' ' VAL . 6.2 t-80 -157.97 157.83 33.77 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.39 -40.79 71.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 118.593 0.633 . . . . 0.0 112.622 -176.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -32.52 56.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -173.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 90' ' ' HIS . 17.9 m -74.34 -32.66 31.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.306 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.94 -42.03 77.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.051 176.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 54.6 mtm -67.67 -33.85 75.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.225 176.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.31 -45.08 81.56 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.535 178.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 67.5 mtm180 -60.87 -45.69 93.55 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.898 0.38 . . . . 0.0 111.287 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 101' ' ' ASP . 83.2 tttt -69.07 -43.26 74.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.956 -175.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.597 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -66.05 -28.4 68.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.02 173.479 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.485 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 6.8 tp-100 -60.78 -38.97 87.1 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 174.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 6.4 m-20 -58.27 -57.27 13.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.159 177.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 99' ' ' LEU . 1.8 p -59.77 -50.26 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.394 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.4 -43.91 88.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.648 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -71.7 -31.97 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.438 -176.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -68.87 -39.32 79.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.368 0.604 . . . . 0.0 109.889 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.537 ' HB3' HG12 ' A' ' 13' ' ' ILE . 79.9 mmt-85 -62.38 -47.24 85.01 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.225 177.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -72.55 -29.69 63.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.646 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.16 -35.51 81.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.624 0.25 . . . . 0.0 111.599 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -90.63 -16.6 28.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 110.669 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -65.74 122.81 82.58 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.655 176.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -88.19 147.75 6.59 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.648 2.232 . . . . 0.0 113.031 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 . . . . . 0 C--O 1.247 0.926 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.75 177.73 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 12.9 p80 . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.934 0.397 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -143.46 -175.51 4.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 7.8 mp -68.81 -42.62 77.02 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.569 -0.901 . . . . 0.0 108.569 170.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 284' ' ' LEU . . . . . 0.49 ' HG ' ' H ' ' B' ' 285' ' ' ARG . 29.5 tp -161.61 179.41 8.2 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 175.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 285' ' ' ARG . . . . . 0.503 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 54.9 mtt180 -59.9 110.03 1.08 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 171.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 286' ' ' ILE . . . . . 0.405 HG23 ' O ' ' B' ' 284' ' ' LEU . 33.0 pt -95.55 14.2 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -171.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 287' ' ' ALY . . . . . 0.479 ' NZ ' HG11 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -83.89 61.73 6.56 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.12 0.486 . . . . 0.0 111.589 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -103.42 22.55 14.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.176 176.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 49.4 tp -89.92 -55.4 3.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.417 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 62.08 54.1 2.8 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.366 0.603 . . . . 0.0 110.609 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.215 -0.898 . . . . 0.0 109.406 179.565 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 112.094 -0.402 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -91.94 158.95 15.99 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.508 ' HG ' ' CZ ' ' A' ' 63' ' ' ARG . 93.2 mt -97.12 99.43 10.93 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 170.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.1 t -77.63 -179.1 5.67 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 177.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -52.05 -37.89 55.19 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -174.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -73.17 -44.65 59.61 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.823 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.57 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 96.7 mt -73.48 -25.51 60.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.286 0.565 . . . . 0.0 110.816 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -73.13 -35.51 66.53 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 173.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.47 ' O ' HG13 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -70.38 -36.54 74.18 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.827 176.608 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.596 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 13.1 p -68.1 -30.24 69.36 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 178.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -65.63 -41.92 92.09 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 121.254 0.549 . . . . 0.0 109.752 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.57 -39.39 49.66 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.828 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.52 HG12 ' HB3' ' A' ' 106' ' ' ARG . 90.9 mt -63.8 -47.56 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.987 0.422 . . . . 0.0 110.225 178.009 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.692 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.5 tt -58.75 -47.31 85.11 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.621 177.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -56.24 -39.52 72.67 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.472 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -61.83 -47.72 83.78 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.595 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.414 HD22 HD13 ' A' ' 99' ' ' LEU . 14.4 mt -65.65 -23.16 66.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.131 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.9 mt -91.89 -8.23 47.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.959 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.8 m -75.57 147.87 39.32 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.103 0.478 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -56.91 -24.63 53.64 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.888 -176.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -56.45 -31.96 64.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.542 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -113.08 -12.22 13.22 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.832 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.0 -34.24 20.49 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -176.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.66 -25.52 39.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.969 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -137.75 20.13 2.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.965 0.412 . . . . 0.0 110.695 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.474 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -116.25 -14.54 11.08 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.502 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.602 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.0 p-90 -55.8 -34.27 24.02 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -176.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 2.4 Cg_endo -55.4 -22.43 33.97 Favored 'Trans proline' 0 C--N 1.368 1.584 0 C-N-CA 121.655 1.57 . . . . 0.0 113.163 176.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.607 ' CD1' HD12 ' A' ' 99' ' ' LEU . 3.4 m-85 -110.82 -7.52 14.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -172.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -56.87 -53.42 58.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.633 0.254 . . . . 0.0 110.504 175.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -137.19 159.11 71.03 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.685 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.506 ' HD3' ' OD1' ' A' ' 52' ' ' ASP . 11.2 Cg_endo -54.85 148.56 45.78 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 123.286 2.657 . . . . 0.0 112.616 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.547 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -70.26 145.49 12.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.053 -178.36 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.46 ' O ' HD12 ' A' ' 38' ' ' LEU . 7.6 m-20 -84.05 66.7 9.36 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.916 -176.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.487 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -49.22 -46.42 45.8 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.1 -173.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.4 t -57.19 -36.2 70.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.169 0.509 . . . . 0.0 110.648 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.1 -33.81 38.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.017 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.515 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -88.85 3.26 51.83 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.961 -179.224 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.7 14.84 77.07 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.389 177.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.515 ' HG ' ' HB2' ' A' ' 38' ' ' LEU . 8.4 mt -87.98 87.92 7.49 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.108 0.48 . . . . 0.0 109.957 -178.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -84.6 4.14 33.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.378 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -123.68 17.17 9.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.194 -175.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -68.58 -40.02 80.72 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 122.087 -0.383 . . . . 0.0 111.548 -173.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -84.11 2.35 39.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.777 0.322 . . . . 0.0 111.325 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -95.56 -44.7 7.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.238 175.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.72 -52.85 19.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.124 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.65 HD12 ' HB2' ' A' ' 81' ' ' ASN . 22.2 mm -82.63 108.73 15.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.11 -175.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -88.47 -24.94 22.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.271 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -119.75 68.48 11.82 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.579 175.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -70.97 104.29 1.49 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.111 1.874 . . . . 0.0 111.921 176.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.544 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 31.8 tpp -129.55 150.32 50.94 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.378 -179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.506 ' OD1' ' HD3' ' A' ' 32' ' ' PRO . 3.1 p30 -138.78 163.57 31.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.631 178.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 mt -63.61 -36.46 83.89 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -174.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 t -65.23 -33.12 75.25 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.832 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.544 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 16.8 m -78.84 -34.97 44.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.76 -0.2 . . . . 0.0 110.955 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 52' ' ' ASP . 99.3 t -59.75 -46.97 92.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 175.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.692 ' HG3' HD13 ' A' ' 14' ' ' LEU . 8.3 tttm -65.29 -39.76 92.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.814 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -55.59 -52.65 63.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.192 177.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -70.64 -30.36 66.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.527 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.6 ttm -64.54 -38.8 92.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.207 171.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 46.8 mt-10 -67.08 -29.36 69.11 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.961 0.41 . . . . 0.0 111.054 179.073 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -78.74 -6.06 54.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.425 0.631 . . . . 0.0 109.511 174.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.508 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 21.9 mmt85 59.62 35.01 22.41 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.491 -1.231 . . . . 0.0 111.057 178.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.58 -7.2 54.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.378 175.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.494 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -93.62 139.18 31.08 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.173 177.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -106.94 -27.36 10.73 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.92 0.39 . . . . 0.0 110.371 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -144.35 157.41 44.27 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -176.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.54 ' HB3' ' HE2' ' A' ' 110' ' ' MET . . . -69.83 -13.61 62.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.159 0.504 . . . . 0.0 110.186 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.29 -34.98 75.53 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.317 174.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -71.18 -30.9 66.99 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.866 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CG ' ' HB2' ' A' ' 10' ' ' CYS . 7.2 t80 -66.49 -51.42 56.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.869 171.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.32 -36.72 66.53 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.607 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 77' ' ' LEU . . . -57.82 -49.33 77.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.748 175.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.71 -52.33 32.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.899 -178.041 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 71' ' ' PHE . 3.7 p -66.27 -41.91 89.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -174.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -70.91 -28.2 64.35 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.422 -0.511 . . . . 0.0 109.953 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -64.53 -33.99 77.2 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-O 121.08 0.467 . . . . 0.0 110.301 174.816 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.481 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . 10.7 tmm? -63.99 -52.22 60.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.565 177.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -60.77 -34.93 75.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.985 0.422 . . . . 0.0 110.622 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.7 t -62.07 -48.19 81.33 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.103 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.65 ' HB2' HD12 ' A' ' 47' ' ' ILE . 0.8 OUTLIER -67.85 -26.3 65.97 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.853 -177.356 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 62.2 m -64.19 -46.98 81.58 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 122.4 -0.188 . . . . 0.0 111.043 177.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -67.76 -24.05 65.3 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.126 0.488 . . . . 0.0 110.472 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -68.27 -47.28 68.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.651 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.627 ' HB2' HD11 ' A' ' 47' ' ' ILE . 66.7 t80 -76.87 -54.91 5.98 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.35 -175.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -88.55 132.16 39.76 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.044 -170.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -63.75 155.51 63.12 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.511 2.14 . . . . 0.0 111.25 174.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -53.07 -23.63 22.65 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 124.305 3.337 . . . . 0.0 114.642 -169.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -106.01 74.52 1.05 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.024 0.44 . . . . 0.0 109.889 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.735 ' O ' HG22 ' A' ' 93' ' ' VAL . 13.7 t-80 -155.37 141.98 18.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.869 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -49.59 -43.9 46.65 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -172.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -22.4 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -172.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.735 HG22 ' O ' ' A' ' 90' ' ' HIS . 10.5 m -81.34 -32.33 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.104 -0.638 . . . . 0.0 109.767 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.94 -44.33 63.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.457 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.421 ' SD ' ' HG3' ' A' ' 28' ' ' PRO . 59.2 mtm -63.74 -33.55 75.91 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.938 176.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.06 -32.5 72.01 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.568 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 47.1 ttt180 -76.3 -42.37 45.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.966 0.412 . . . . 0.0 110.948 -176.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.508 ' O ' ' HB3' ' A' ' 101' ' ' ASP . 84.9 tttt -68.81 -41.22 78.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.652 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.607 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -67.31 -28.62 68.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.065 172.903 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.407 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 6.3 tp-100 -61.53 -38.13 86.28 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 174.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.547 ' O ' ' HD1' ' A' ' 105' ' ' PHE . 8.0 t70 -58.35 -57.85 11.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.952 177.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.536 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.6 p -59.18 -51.55 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.301 -178.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -57.6 -41.22 80.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.662 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 101' ' ' ASP . 6.2 pt-20 -66.87 -38.94 87.28 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.866 -176.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.547 ' HD1' ' O ' ' A' ' 101' ' ' ASP . 51.4 m-85 -73.55 -28.03 61.65 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.161 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 14.6 mmt180 -68.19 -48.73 64.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.045 0.45 . . . . 0.0 110.019 176.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -67.02 -31.07 71.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.479 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.74 -39.36 84.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.578 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -81.83 -13.96 56.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.872 0.367 . . . . 0.0 111.054 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.54 ' HE2' ' HB3' ' A' ' 68' ' ' ALA . 3.8 tmm? -70.17 120.44 78.21 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.403 174.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -89.27 160.39 5.64 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.778 2.319 . . . . 0.0 112.784 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.5 t70 . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.743 -0.646 . . . . 0.0 110.164 -179.599 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 68.7 m80 . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 120.901 0.382 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -98.59 -36.46 9.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.862 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -101.06 87.41 3.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.131 0.491 . . . . 0.0 110.893 -178.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 76.2 mt -91.95 154.85 18.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.959 176.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 285' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' B' ' 285' ' ' ARG . 2.7 mpt_? -76.23 88.01 3.08 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 286' ' ' ILE . . . . . 0.578 HD13 ' H ' ' B' ' 286' ' ' ILE . 0.2 OUTLIER -50.61 130.57 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.417 0.627 . . . . 0.0 111.737 -177.521 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 287' ' ' ALY . . . . . 0.547 ' NZ ' HG11 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -83.27 67.52 9.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.46 0.648 . . . . 0.0 110.872 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -102.29 24.67 9.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.59 174.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.66 130.69 42.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.038 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 56.42 57.12 5.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.45 0.643 . . . . 0.0 110.644 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.424 -0.798 . . . . 0.0 110.599 -179.857 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.599 -0.6 . . . . 0.0 111.599 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -84.91 87.83 7.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.881 0.341 . . . . 0.0 110.48 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 72.9 mt 65.76 106.73 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.566 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 m -64.57 166.95 7.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.01 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -53.49 -45.55 69.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.312 . . . . 0.0 111.658 -173.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -60.67 -40.54 92.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.521 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.6 mt -74.91 -31.62 61.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.4 -176.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -66.28 -38.29 87.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.873 0.368 . . . . 0.0 110.056 176.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.435 ' O ' HG13 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -65.96 -32.43 73.92 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.58 ' SG ' ' HA ' ' A' ' 68' ' ' ALA . 79.0 m -63.19 -43.6 97.73 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.337 176.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -56.87 -39.28 74.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.438 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.64 -42.52 47.01 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.846 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 9' ' ' HIS . 83.3 mt -64.44 -49.12 82.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.387 . . . . 0.0 110.527 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.685 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.2 tt -57.03 -43.16 81.64 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.496 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -58.09 -37.47 74.56 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -69.18 -49.67 54.53 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.128 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.5 mt -60.47 -22.91 64.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.096 0.474 . . . . 0.0 110.039 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.5 mt -90.68 -15.43 30.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.014 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -68.88 146.29 52.95 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.96 0.41 . . . . 0.0 110.588 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -56.56 -19.43 15.75 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.384 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -53.49 -39.42 64.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.473 173.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.402 ' HB3' HD21 ' A' ' 99' ' ' LEU . 97.9 m-70 -107.45 -14.85 14.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.729 -176.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.37 -35.03 7.66 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -175.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.93 -22.53 26.61 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.003 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -141.76 18.01 2.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.998 0.428 . . . . 0.0 110.686 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.471 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -115.87 -14.19 11.32 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.259 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.61 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 69.5 p-90 -56.36 -34.17 23.75 Favored Pre-proline 0 CA--C 1.548 0.9 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -176.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -54.22 -22.15 25.05 Favored 'Trans proline' 0 C--N 1.372 1.769 0 C-N-CA 121.782 1.654 . . . . 0.0 113.015 176.568 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.596 ' CD1' HD12 ' A' ' 99' ' ' LEU . 2.2 m-85 -111.59 -8.42 14.23 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -172.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -55.4 -54.91 37.77 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.204 -0.198 . . . . 0.0 110.635 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -133.58 159.43 72.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.176 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.505 ' HD3' ' OD2' ' A' ' 52' ' ' ASP . 19.5 Cg_endo -58.71 144.37 98.0 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.542 2.162 . . . . 0.0 111.312 178.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.587 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 1.0 OUTLIER -63.61 149.48 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.542 -175.641 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -86.16 66.47 9.58 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.67 -44.94 66.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.124 -0.944 . . . . 0.0 113.065 -167.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 m -60.3 -44.92 94.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.763 0.316 . . . . 0.0 110.695 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.33 -29.82 64.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.955 0.407 . . . . 0.0 110.706 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.467 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 34.8 mt -75.9 -7.24 54.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.2 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.17 4.16 84.28 Favored Glycine 0 C--N 1.33 0.24 0 N-CA-C 111.576 -0.61 . . . . 0.0 111.576 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.517 HD11 ' HCA' ' B' ' 287' ' ' ALY . 8.6 mt -93.25 71.87 4.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.96 -174.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -79.41 7.67 7.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.93 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -117.98 23.11 11.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.204 0.526 . . . . 0.0 110.493 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -74.86 -38.48 61.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.568 -174.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -77.26 -13.36 59.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.857 0.36 . . . . 0.0 111.14 -176.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.33 -45.9 18.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.627 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -77.69 -44.32 29.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.995 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.5 HD11 ' HB2' ' A' ' 85' ' ' TYR . 17.2 mm -86.89 107.39 16.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.769 0.319 . . . . 0.0 111.031 -177.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -90.53 -25.02 20.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.393 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -123.45 72.5 49.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.836 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.71 100.07 0.48 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.121 1.881 . . . . 0.0 111.436 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.546 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 31.6 tpp -129.97 146.28 51.66 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.462 -178.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.528 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.0 p-10 -138.63 165.2 27.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.363 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.1 mt -63.57 -33.54 75.82 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.438 ' HB2' ' OD1' ' A' ' 52' ' ' ASP . 66.9 m -64.9 -40.39 95.01 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.211 -0.196 . . . . 0.0 110.921 178.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.546 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 18.7 m -74.04 -34.22 64.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.865 -0.152 . . . . 0.0 111.016 177.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 52' ' ' ASP . 84.4 t -59.68 -45.62 94.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.515 0.674 . . . . 0.0 109.381 174.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.685 ' HG3' HD13 ' A' ' 14' ' ' LEU . 19.2 tttt -67.85 -41.93 82.15 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.186 177.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -52.3 -54.63 28.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.86 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HB3' ' HE2' ' A' ' 65' ' ' TYR . 42.6 mtpt -63.0 -39.24 94.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.624 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 13.4 ttm -60.97 -40.66 94.23 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 54.7 mt-10 -64.47 -32.25 73.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.114 0.483 . . . . 0.0 110.637 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.42 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -81.45 -1.83 47.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.438 0.637 . . . . 0.0 109.599 176.241 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 58.74 33.3 22.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.483 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.91 -14.71 60.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.947 177.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.53 ' CE1' ' HA ' ' A' ' 71' ' ' PHE . 1.8 m-30 -84.27 139.66 32.19 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 176.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -98.78 -31.61 11.79 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.819 0.343 . . . . 0.0 110.424 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.408 ' OD1' ' HB3' ' A' ' 69' ' ' GLN . 2.0 p30 -147.43 172.79 13.38 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 121.1 0.476 . . . . 0.0 111.055 -176.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.58 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . . . -73.81 -16.15 61.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.702 -177.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.408 ' HB3' ' OD1' ' A' ' 67' ' ' ASP . 50.5 tp60 -72.05 -38.64 69.45 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 177.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -65.63 -35.55 81.13 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.243 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.706 ' O ' HG12 ' A' ' 75' ' ' VAL . 8.6 t80 -63.73 -53.75 46.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.514 173.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 76' ' ' ARG . . . -53.37 -41.02 65.45 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 123.705 0.628 . . . . 0.0 110.294 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.84 -48.75 78.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.416 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.98 -43.4 65.18 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -176.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.706 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.4 p -67.51 -40.98 85.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.906 -178.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 2.3 ptp180 -70.9 -28.65 64.68 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.164 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -32.67 74.24 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.98 0.419 . . . . 0.0 110.081 175.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.629 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 12.5 tmm? -63.72 -51.88 63.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.351 175.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -60.93 -34.13 74.23 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 110.687 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.5 m -65.7 -45.24 83.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.695 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.629 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 12.3 p30 -66.43 -29.47 69.62 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.395 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.535 ' SG ' HH32 ' B' ' 287' ' ' ALY . 60.7 m -60.16 -44.74 94.77 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.865 175.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -71.41 -24.14 62.0 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.487 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -64.54 -46.22 83.79 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.488 0.661 . . . . 0.0 110.273 176.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.5 ' HB2' HD11 ' A' ' 47' ' ' ILE . 59.8 t80 -80.45 -60.62 2.25 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.802 -171.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -85.8 128.28 59.13 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.8 -170.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -65.58 157.85 56.23 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.424 2.083 . . . . 0.0 110.953 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.12 -19.96 13.1 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 124.221 3.281 . . . . 0.0 113.854 -173.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -101.12 68.43 1.24 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.3 0.571 . . . . 0.0 109.686 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.533 ' O ' HG22 ' A' ' 93' ' ' VAL . 4.0 t-80 -154.78 156.78 36.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.378 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.74 -43.0 99.7 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -22.14 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -170.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 19.7 m -82.4 -36.41 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.351 -0.539 . . . . 0.0 110.095 177.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.32 -39.55 81.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.398 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 57.2 mtm -68.06 -36.67 80.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.159 175.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.94 -41.38 91.37 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.695 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 77.2 mtp180 -61.46 -45.48 94.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.751 0.31 . . . . 0.0 111.225 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -67.96 -50.58 54.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.758 -177.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.596 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -60.61 -28.43 68.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.787 175.057 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -67.42 -35.19 78.76 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -61.89 -55.07 33.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.47 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.481 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.9 p -57.74 -54.01 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.263 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -56.83 -36.61 70.17 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.684 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.3 -47.44 82.26 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 120.853 0.358 . . . . 0.0 110.086 -177.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.487 ' O ' ' HE3' ' A' ' 109' ' ' LYS . 87.8 m-85 -75.95 -23.2 55.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.403 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 37.2 mmt180 -66.15 -47.03 75.4 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 174.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -71.35 -30.15 65.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.199 177.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 105' ' ' PHE . . . -67.85 -33.4 74.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.161 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.487 ' HE3' ' O ' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -80.58 -26.94 37.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.983 0.42 . . . . 0.0 109.972 177.203 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -64.64 120.11 63.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.353 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -84.93 145.82 10.12 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.217 1.944 . . . . 0.0 111.84 176.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.583 -0.722 . . . . 0.0 109.811 -177.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -54.64 -43.31 72.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.474 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 57.2 tp -164.96 -74.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.657 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 84.4 mt 56.79 -101.45 0.13 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.225 -173.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 52.3 mtp85 -139.49 139.5 36.98 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 27.5 pt -102.1 137.67 29.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.903 0.383 . . . . 0.0 110.344 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 287' ' ' ALY . . . . . 0.587 ' NZ ' HG11 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -80.22 62.15 4.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.525 0.679 . . . . 0.0 110.688 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -109.88 26.04 11.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.069 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 6.5 mp -75.72 104.66 6.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.624 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 58.43 79.8 0.2 Allowed 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.773 0.671 . . . . 0.0 110.409 -175.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.767 -0.635 . . . . 0.0 110.578 -179.626 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 111.818 -0.513 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 55.06 50.25 15.77 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 122.598 0.359 . . . . 0.0 111.303 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.4 mt 67.33 113.33 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.739 0.65 . . . . 0.0 111.523 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.5 t -71.95 171.57 11.55 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 173.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -53.83 -46.6 71.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 111.121 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.598 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 14.6 mp0 -56.06 -46.45 78.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.494 177.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.57 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 93.3 mt -76.54 -25.97 54.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.978 0.418 . . . . 0.0 111.488 -176.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -71.01 -37.65 72.63 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 173.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.431 ' O ' HG13 ' A' ' 13' ' ' ILE . 1.5 t60 -69.76 -35.06 74.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.995 178.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.584 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 13.9 p -69.56 -29.42 66.98 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.948 0.404 . . . . 0.0 110.099 177.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -66.46 -40.69 89.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.487 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.14 -39.28 53.51 Favored Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.437 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.52 HG12 ' HB3' ' A' ' 106' ' ' ARG . 87.1 mt -62.13 -49.91 82.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.727 0.298 . . . . 0.0 110.592 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.669 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.3 tt -55.96 -45.92 78.75 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.349 177.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -54.21 -37.32 64.42 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.481 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.713 ' OE1' ' HD3' ' A' ' 106' ' ' ARG . 30.6 tt0 -74.9 -41.47 59.67 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.737 -174.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.61 -22.49 66.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.0 mt -91.56 -15.98 27.85 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.879 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.3 m -70.78 146.94 49.45 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.208 0.528 . . . . 0.0 110.772 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -59.63 -14.79 15.1 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.535 -173.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -58.91 -38.35 78.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.886 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -106.51 -15.46 14.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.694 -176.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.409 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -47.61 -33.09 6.22 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -175.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.7 -28.93 58.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.637 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -135.28 19.31 3.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.066 0.46 . . . . 0.0 110.723 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.465 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -114.75 -14.78 11.97 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.176 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.609 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 67.6 p-90 -54.62 -34.83 26.05 Favored Pre-proline 0 CA--C 1.547 0.83 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -177.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.2 Cg_endo -54.06 -24.53 33.11 Favored 'Trans proline' 0 C--N 1.367 1.537 0 C-N-CA 121.713 1.609 . . . . 0.0 113.208 177.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CD1' HD12 ' A' ' 99' ' ' LEU . 2.2 m-85 -110.65 -7.92 14.64 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -171.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -54.36 -57.15 12.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.738 0.304 . . . . 0.0 110.835 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -132.47 162.54 56.47 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.584 -177.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.8 145.36 50.54 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 123.014 2.476 . . . . 0.0 112.112 177.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.524 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -68.29 148.18 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.81 -179.211 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -86.43 66.43 9.51 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.21 -32.47 64.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.559 -170.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.2 m -67.34 -40.17 85.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.882 0.373 . . . . 0.0 110.674 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.88 -23.89 33.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.229 0.538 . . . . 0.0 110.835 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.7 mt -81.9 -4.4 56.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.351 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.77 2.87 88.85 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.179 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.447 HD11 ' HG2' ' B' ' 287' ' ' ALY . 13.1 mt -84.09 83.61 7.9 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.141 0.496 . . . . 0.0 110.708 -177.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -73.37 -13.92 61.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.874 -177.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -114.31 24.23 12.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.634 -172.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -67.91 -44.27 77.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.719 0.295 . . . . 0.0 111.516 -175.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -75.02 -16.44 60.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.878 0.371 . . . . 0.0 110.892 -177.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.35 -44.54 44.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.231 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -79.43 -46.22 23.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.413 -178.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.648 HD11 ' HB2' ' A' ' 85' ' ' TYR . 11.9 mm -85.26 99.56 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.778 0.323 . . . . 0.0 111.305 -175.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -69.06 -37.01 78.28 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.633 174.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -120.49 72.34 20.1 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.578 -175.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.42 107.4 1.78 Allowed 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 121.996 1.797 . . . . 0.0 112.068 176.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.603 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 32.9 tpp -132.96 149.35 52.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.605 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.458 ' O ' HG23 ' A' ' 56' ' ' VAL . 4.3 p30 -139.02 164.44 29.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.501 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.1 mt -63.37 -34.59 78.06 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.216 0.451 . . . . 0.0 112.216 -175.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.2 m -65.05 -36.71 85.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.629 0.252 . . . . 0.0 110.937 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.603 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 19.2 m -76.16 -34.8 59.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.057 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 52' ' ' ASP . 94.4 t -60.45 -46.9 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.469 0.652 . . . . 0.0 109.29 175.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.669 ' HG3' HD13 ' A' ' 14' ' ' LEU . 10.5 tttm -64.61 -41.74 95.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.757 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -52.91 -53.46 48.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.134 177.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -71.51 -28.35 63.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.797 -177.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 29.3 ttm -66.47 -37.74 85.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.161 172.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 65.3 mt-10 -67.98 -30.88 70.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.45 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.8 OUTLIER -81.98 -3.96 55.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.325 0.583 . . . . 0.0 109.452 175.737 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 60.6 32.03 20.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.689 -1.142 . . . . 0.0 111.975 176.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -30.49 71.57 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.414 0.625 . . . . 0.0 110.246 176.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.523 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -74.63 143.38 44.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.793 -175.27 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.461 ' NE ' ' HA ' ' A' ' 66' ' ' ARG . 6.2 mmp_? -101.05 -30.48 11.59 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.797 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -144.74 164.95 29.47 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -175.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.598 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -70.34 -17.41 63.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.312 0.577 . . . . 0.0 109.971 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.36 -38.46 78.1 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.444 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.94 -32.13 72.36 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.972 176.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.632 ' O ' HG12 ' A' ' 75' ' ' VAL . 4.4 t80 -64.45 -52.51 57.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.668 172.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.612 ' O ' ' HB3' ' A' ' 76' ' ' ARG . . . -55.43 -40.38 71.44 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.476 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.73 -42.84 79.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.367 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -80.21 -45.5 17.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.282 -174.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.632 HG12 ' O ' ' A' ' 71' ' ' PHE . 3.0 p -67.79 -37.64 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 120.811 0.339 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.612 ' HB3' ' O ' ' A' ' 72' ' ' ALA . 8.1 ttm180 -68.9 -34.05 74.77 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.01 -33.31 71.82 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.503 175.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.608 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 11.6 tmm? -64.5 -53.52 46.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.645 176.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -59.5 -33.23 71.09 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.088 0.47 . . . . 0.0 110.71 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.4 m -64.44 -50.89 65.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.735 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.608 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 11.4 p30 -64.72 -25.36 67.9 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.561 -177.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 69.1 m -62.4 -47.3 84.73 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.649 175.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -72.22 -24.35 61.38 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.138 0.494 . . . . 0.0 110.481 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.501 ' HB2' ' HA ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -71.23 -28.38 64.14 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.305 -178.472 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.648 ' HB2' HD11 ' A' ' 47' ' ' ILE . 80.0 t80 -96.75 -59.78 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.807 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -82.36 134.4 48.58 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.512 -170.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -66.62 153.57 77.5 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.589 2.193 . . . . 0.0 111.33 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.89 -20.16 34.97 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.944 3.096 . . . . 0.0 113.857 -172.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -98.25 62.6 1.51 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.287 0.565 . . . . 0.0 110.13 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.502 ' O ' HG22 ' A' ' 93' ' ' VAL . 3.7 t-80 -147.47 163.76 35.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.508 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -72.86 -39.46 66.46 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -23.05 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.399 -173.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 90' ' ' HIS . 18.8 m -82.08 -34.47 12.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.878 177.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.88 -43.58 79.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.387 176.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.404 ' SD ' ' HG3' ' A' ' 28' ' ' PRO . 56.8 mtm -67.55 -32.26 72.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.901 177.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.81 -41.89 78.04 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.724 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 60.2 mtt180 -62.38 -46.84 86.79 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.974 0.416 . . . . 0.0 111.048 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 101' ' ' ASP . 59.5 tttp -67.15 -47.02 72.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.03 -177.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.604 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -63.99 -29.87 70.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.864 174.165 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -65.76 -35.78 81.68 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 98' ' ' LYS . 6.4 t70 -59.59 -53.44 57.99 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.191 177.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 99' ' ' LEU . 1.5 p -63.1 -52.71 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.434 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -54.31 -38.62 66.16 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.246 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -69.18 -42.98 75.14 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -64.69 -32.48 74.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.075 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.713 ' HD3' ' OE1' ' A' ' 16' ' ' GLU . 5.4 mmm180 -64.82 -48.16 75.39 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.665 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -73.64 -26.03 60.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.847 0.356 . . . . 0.0 110.269 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.87 -34.54 78.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.803 0.335 . . . . 0.0 110.977 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.474 ' HB2' ' NZ ' ' A' ' 109' ' ' LYS . 2.3 ttmp? -82.07 -22.37 36.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.255 0.55 . . . . 0.0 110.0 177.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -74.75 120.04 79.64 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.349 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -88.73 145.93 5.7 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.301 2.001 . . . . 0.0 113.359 177.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.248 1.007 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.859 177.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 44.8 m80 . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 282' ' ' ASN . . . . . 0.468 HD22 HD12 ' B' ' 286' ' ' ILE . 3.8 m-20 -93.34 93.22 8.07 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 7.9 mp -73.21 -35.59 66.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.153 0.501 . . . . 0.0 110.157 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 79.1 mt -100.68 160.68 14.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.688 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -74.15 131.84 41.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.32 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 286' ' ' ILE . . . . . 0.673 HD13 ' H ' ' B' ' 286' ' ' ILE . 0.2 OUTLIER -89.09 132.41 33.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.592 179.502 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 287' ' ' ALY . . . . . 0.524 ' NZ ' HG11 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -78.23 58.97 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.298 0.571 . . . . 0.0 111.466 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -98.6 53.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.857 175.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 290' ' ' LEU . . . . . 0.681 ' H ' HD23 ' B' ' 290' ' ' LEU . 0.8 OUTLIER -83.81 76.15 10.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.443 0.64 . . . . 0.0 109.602 179.28 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -71.18 -16.36 62.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.814 -177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 12.7 m . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.636 -0.697 . . . . 0.0 109.892 178.87 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -104.66 151.18 24.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.95 0.405 . . . . 0.0 111.45 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.422 ' HG ' ' CZ ' ' A' ' 63' ' ' ARG . 68.5 mt -97.08 100.63 12.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.965 172.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.4 m -63.89 171.27 2.9 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.025 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -55.1 -40.79 70.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.932 0.396 . . . . 0.0 110.924 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -60.54 -43.22 97.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.358 176.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.54 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 88.0 mt -78.61 -28.06 45.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.184 0.516 . . . . 0.0 111.674 -174.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -72.4 -32.52 66.45 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 173.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -69.44 -38.66 77.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.773 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.544 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 13.9 p -68.27 -30.21 69.19 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.754 0.312 . . . . 0.0 110.286 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -61.63 -45.7 92.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.007 174.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.09 -41.95 92.33 Favored Glycine 0 C--N 1.33 0.226 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.485 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.515 HG12 ' HB3' ' A' ' 106' ' ' ARG . 96.0 mt -62.21 -49.26 84.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.967 0.413 . . . . 0.0 110.474 178.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.669 HD13 ' HG3' ' A' ' 57' ' ' LYS . 0.9 OUTLIER -60.03 -46.11 90.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.891 179.171 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -57.57 -39.73 77.38 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.68 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -67.88 -45.96 73.01 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.732 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.68 -23.49 66.13 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.791 177.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.6 mt -91.17 -12.49 35.25 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.299 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.5 m -75.59 151.18 37.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.34 0.591 . . . . 0.0 111.616 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -56.89 -22.79 39.92 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.637 -174.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -57.08 -36.82 71.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.979 0.419 . . . . 0.0 111.077 175.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -107.04 -13.57 15.15 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.581 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.423 ' O ' ' HD1' ' A' ' 27' ' ' TRP . . . -48.11 -35.24 11.07 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -176.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.18 -25.92 48.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.04 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -138.59 16.93 2.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.015 0.436 . . . . 0.0 110.939 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.451 ' C ' ' HD2' ' A' ' 28' ' ' PRO . . . -113.43 -12.73 12.92 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.076 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.622 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 66.9 p-90 -55.19 -33.92 20.99 Favored Pre-proline 0 CA--C 1.545 0.77 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.2 Cg_endo -53.56 -25.76 34.12 Favored 'Trans proline' 0 C--N 1.368 1.589 0 C-N-CA 121.747 1.631 . . . . 0.0 113.19 176.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.547 ' CD1' HD12 ' A' ' 99' ' ' LEU . 1.9 m-85 -111.56 -8.19 14.25 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -170.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -54.42 -53.94 47.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.71 0.29 . . . . 0.0 111.025 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -134.82 157.39 77.25 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.769 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.487 ' HD3' ' CG ' ' A' ' 52' ' ' ASP . 19.4 Cg_endo -58.08 138.7 87.31 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.698 2.265 . . . . 0.0 111.359 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.65 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.8 OUTLIER -61.14 148.14 9.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.718 -173.58 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -91.67 72.39 5.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.802 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.578 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -54.9 -31.52 60.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.488 -175.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.7 m -59.22 -49.83 76.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.115 0.484 . . . . 0.0 110.317 175.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.45 -26.48 46.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.989 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.3 mt -83.91 -9.69 58.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.7 -175.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.12 10.55 82.5 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.303 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.578 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 11.4 mt -91.18 98.56 11.81 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.693 0.283 . . . . 0.0 110.284 -178.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -85.58 -6.59 59.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.719 0.295 . . . . 0.0 111.289 -175.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -125.9 25.31 6.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.742 0.306 . . . . 0.0 111.801 -172.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -67.8 -43.68 79.13 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.811 0.338 . . . . 0.0 111.357 -175.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -79.86 -1.45 39.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.496 -175.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -94.1 -42.73 8.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.53 175.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -75.21 -44.38 43.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.998 0.428 . . . . 0.0 110.04 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.602 HD11 ' HB2' ' A' ' 85' ' ' TYR . 13.3 mm -91.77 103.11 14.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.479 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 24.9 mmtp -87.81 -25.75 23.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.773 0.321 . . . . 0.0 111.264 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -117.32 68.47 5.23 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.124 175.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.56 98.94 1.08 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.232 1.955 . . . . 0.0 112.348 176.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.44 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 29.0 tpp -120.09 149.02 42.87 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.042 178.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.545 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.5 p-10 -138.03 160.11 40.24 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.666 -177.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.8 mt -62.56 -37.74 87.34 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -173.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.4 p -63.58 -39.39 94.26 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.263 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.44 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 21.3 m -73.55 -34.92 65.41 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.512 0.196 . . . . 0.0 110.955 178.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 52' ' ' ASP . 86.3 t -57.63 -45.91 86.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.669 ' HG3' HD13 ' A' ' 14' ' ' LEU . 9.0 tttm -67.69 -40.11 84.39 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.535 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -54.22 -51.33 64.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.886 176.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -69.65 -29.21 66.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.667 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 ttm -67.07 -39.73 86.89 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 172.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.22 -29.42 69.67 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 178.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.04 -5.36 53.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.496 0.665 . . . . 0.0 109.627 176.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.422 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 17.6 mmt85 56.63 41.84 27.88 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.369 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -80.84 -25.79 37.47 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.741 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.504 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -75.64 142.36 42.61 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.941 177.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -112.5 -23.41 10.29 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.431 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -144.59 162.71 35.95 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.89 -15.56 61.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.318 -178.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -72.89 -31.52 64.74 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 176.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -70.44 -34.94 73.03 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.421 174.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.627 ' O ' HG12 ' A' ' 75' ' ' VAL . 6.3 t80 -64.73 -52.15 58.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.573 172.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.448 ' HA ' ' CG1' ' A' ' 75' ' ' VAL . . . -52.8 -39.29 62.23 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.45 178.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.52 78.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.169 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.18 -48.12 58.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.68 -177.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.6 p -66.16 -41.63 89.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.467 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 7.1 ptp180 -67.79 -30.7 70.2 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -35.0 79.4 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.137 176.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.547 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 12.1 tmm? -62.38 -53.15 59.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.669 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -59.71 -36.25 76.16 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.984 0.421 . . . . 0.0 110.716 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.7 m -62.19 -51.62 67.07 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.806 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.547 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 11.1 p30 -64.66 -29.02 70.01 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.536 -176.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.557 ' SG ' HH32 ' B' ' 287' ' ' ALY . 62.6 m -59.23 -46.29 88.87 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.825 -0.171 . . . . 0.0 110.903 175.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -68.81 -24.99 64.46 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.482 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -74.22 -36.79 63.96 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.934 -178.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.602 ' HB2' HD11 ' A' ' 47' ' ' ILE . 88.3 t80 -81.96 -53.2 6.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.993 0.425 . . . . 0.0 111.281 -177.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -90.39 131.77 37.43 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.965 -171.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.26 154.26 53.68 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.567 2.178 . . . . 0.0 111.274 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.88 -19.96 16.53 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 124.107 3.204 . . . . 0.0 113.725 -173.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -104.89 78.83 1.45 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.59 ' O ' HG22 ' A' ' 93' ' ' VAL . 11.6 t-80 -157.78 155.46 29.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.441 178.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -56.8 -47.73 79.57 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -32.66 57.66 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -172.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 90' ' ' HIS . 12.6 m -76.07 -35.29 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.062 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.84 -40.72 79.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.394 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 55.5 mtm -68.58 -33.82 74.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.151 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.83 -40.59 88.02 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.138 177.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.491 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 99.5 mtt180 -61.66 -48.6 80.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.516 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 101' ' ' ASP . 61.3 tttp -67.17 -44.62 79.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.202 0.525 . . . . 0.0 110.946 -176.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.547 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -64.54 -27.72 69.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.142 173.76 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.491 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 41.2 tt0 -62.8 -40.36 97.12 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 174.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 6.2 m-20 -55.87 -58.52 7.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 177.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.635 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.7 p -58.03 -56.51 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.482 -178.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -54.74 -36.45 64.8 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -69.47 -46.6 66.3 Favored 'General case' 0 N--CA 1.44 -0.967 0 O-C-N 122.26 -0.275 . . . . 0.0 110.265 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -61.88 -32.82 73.21 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.034 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.635 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 26.5 mmt180 -67.9 -50.23 57.42 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.488 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -68.77 -31.06 69.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.16 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.38 -35.76 81.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.99 0.424 . . . . 0.0 111.076 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -18.78 53.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.35 0.595 . . . . 0.0 109.855 176.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.409 ' HE2' ' O ' ' A' ' 111' ' ' PRO . 1.8 tmt? -81.89 125.75 76.91 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.735 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.409 ' O ' ' HE2' ' A' ' 110' ' ' MET . 91.6 Cg_endo -90.59 146.39 4.03 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 122.448 2.099 . . . . 0.0 112.485 173.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 C--O 1.25 1.088 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.535 -179.896 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 66.8 m80 . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.74 0.305 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -80.18 61.71 4.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 111.274 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -162.3 156.03 20.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.46 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 68.5 mt -108.23 136.29 48.14 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.065 0.459 . . . . 0.0 110.338 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -67.31 140.99 57.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.291 176.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 19.8 pt -89.64 137.61 21.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.896 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 287' ' ' ALY . . . . . 0.65 ' NZ ' HG11 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -82.25 62.36 5.93 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.408 0.623 . . . . 0.0 110.666 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -104.97 50.37 0.79 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.799 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 290' ' ' LEU . . . . . 0.472 ' H ' HD23 ' B' ' 290' ' ' LEU . 2.1 pt? -128.8 163.52 25.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.774 178.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -59.09 -54.93 41.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.814 0.34 . . . . 0.0 111.05 -175.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.642 -0.694 . . . . 0.0 109.936 -179.288 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.713 -0.555 . . . . 0.0 111.713 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt 67.37 165.88 0.23 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 112.145 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.62 ' HG ' ' NH1' ' A' ' 63' ' ' ARG . 61.7 mt -118.78 110.69 17.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.608 175.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 m -66.48 177.68 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.815 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -54.25 -48.68 70.86 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.001 0.429 . . . . 0.0 111.073 -177.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.448 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 1.1 mp0 -63.33 -40.72 98.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.591 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.573 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 82.6 mt -77.81 -19.48 54.89 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.162 0.506 . . . . 0.0 110.92 -178.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -48.47 52.15 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-O 121.731 0.777 . . . . 0.0 109.432 170.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -60.58 -35.43 76.06 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.401 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.62 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 13.4 p -70.34 -29.5 66.21 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.407 -0.517 . . . . 0.0 109.985 177.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -67.32 -41.73 84.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.207 0.527 . . . . 0.0 109.725 175.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.25 -41.84 84.93 Favored Glycine 0 C--N 1.33 0.245 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.758 -178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.438 HG12 ' HB3' ' A' ' 106' ' ' ARG . 98.4 mt -62.65 -51.41 72.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.978 0.418 . . . . 0.0 110.527 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.662 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.2 tt -56.09 -46.92 78.87 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.036 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -56.31 -38.75 71.72 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.943 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' CD ' ' HE ' ' A' ' 106' ' ' ARG . 20.8 tt0 -71.41 -45.25 63.2 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.851 -176.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.16 -21.97 65.49 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 176.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -91.32 -15.3 29.3 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.109 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.0 m -69.19 149.12 48.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.15 0.5 . . . . 0.0 111.072 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -60.35 -17.14 41.3 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.763 -175.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -56.92 -41.21 77.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.094 0.473 . . . . 0.0 110.766 173.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -104.65 -16.55 14.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.602 -175.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.16 -34.81 6.57 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -176.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.71 -23.22 40.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.037 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -139.51 16.36 2.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 178.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.46 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -114.24 -14.09 12.31 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.201 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.59 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.2 p-90 -55.78 -34.64 26.79 Favored Pre-proline 0 CA--C 1.545 0.752 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -175.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 2.4 Cg_endo -54.81 -22.54 30.03 Favored 'Trans proline' 0 C--N 1.366 1.473 0 C-N-CA 121.55 1.5 . . . . 0.0 113.22 176.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.679 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 4.2 m-85 -107.25 -11.82 15.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.645 -173.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -55.82 -55.88 27.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.89 0.376 . . . . 0.0 110.988 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -131.85 157.69 77.5 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.499 -174.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -54.15 135.21 63.69 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.611 2.207 . . . . 0.0 112.144 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.457 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 1.0 OUTLIER -60.06 141.89 16.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.676 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -85.04 68.24 10.48 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -174.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.494 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -50.45 -41.38 52.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.095 -174.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.7 m -59.9 -40.29 88.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.784 0.326 . . . . 0.0 111.322 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.63 -18.9 31.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.981 0.42 . . . . 0.0 111.17 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.406 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 36.8 mt -88.61 -1.09 57.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.172 -179.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.29 0.6 83.8 Favored Glycine 0 C--N 1.329 0.161 0 C-N-CA 121.161 -0.542 . . . . 0.0 112.144 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.494 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 10.7 mt -83.3 90.37 7.13 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.848 0.356 . . . . 0.0 110.294 -177.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -85.11 2.29 44.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.01 0.433 . . . . 0.0 109.962 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -121.07 16.39 11.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.334 -173.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -68.09 -41.62 81.58 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.914 -0.491 . . . . 0.0 111.207 -174.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -79.87 -4.73 53.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.819 0.342 . . . . 0.0 111.322 -176.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -88.43 -40.62 13.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.019 0.437 . . . . 0.0 110.289 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 mp -80.74 -50.57 16.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.453 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' ' 85' ' ' TYR . 17.0 mm -78.31 113.9 18.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.528 -177.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -94.4 -24.16 17.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.046 0.451 . . . . 0.0 111.603 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -121.99 68.4 25.75 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.817 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.77 110.58 2.38 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.069 1.846 . . . . 0.0 111.831 176.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.534 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 29.2 tpp -135.52 150.65 49.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.104 -176.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 56' ' ' VAL . 1.3 m-20 -136.31 148.52 47.98 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -177.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.5 mt -56.36 -37.93 70.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 118.268 0.485 . . . . 0.0 111.749 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.1 m -64.47 -31.15 72.24 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.687 0.279 . . . . 0.0 110.825 177.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.534 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 2.2 m -80.93 -35.27 32.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.466 179.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 52' ' ' ASP . 99.2 t -60.13 -46.93 93.84 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.662 ' HG3' HD13 ' A' ' 14' ' ' LEU . 12.7 tttm -64.77 -41.79 95.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.807 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -55.22 -51.37 66.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.276 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -71.33 -31.87 67.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.59 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 27.5 ttm -61.82 -38.98 90.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.889 0.375 . . . . 0.0 110.158 171.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 48.6 mt-10 -64.92 -33.87 77.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.412 ' N ' HD22 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -81.37 3.71 23.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.564 0.697 . . . . 0.0 109.664 176.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.62 ' NH1' ' HG ' ' A' ' 3' ' ' LEU . 2.3 mmt85 55.76 30.97 16.64 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.64 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -67.05 -16.91 64.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.494 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.544 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -91.07 136.07 33.33 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.946 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.493 ' HB2' ' OE1' ' A' ' 70' ' ' GLU . 4.8 mmp_? -97.25 -29.55 13.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.613 0.244 . . . . 0.0 110.562 177.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -144.68 163.33 34.3 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 6' ' ' GLN . . . -68.74 -17.98 64.15 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.328 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -66.99 -38.96 86.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.595 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.493 ' OE1' ' HB2' ' A' ' 66' ' ' ARG . 44.4 mt-10 -68.3 -33.65 74.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.259 177.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.62 ' CG ' ' HB2' ' A' ' 10' ' ' CYS . 3.6 t80 -64.3 -52.17 59.87 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 171.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.402 ' HA ' ' CG1' ' A' ' 75' ' ' VAL . . . -56.14 -34.91 66.57 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.596 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.4 77.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.995 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.49 -49.21 67.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.85 -177.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.8 p -65.18 -40.71 89.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 111.503 -177.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -71.12 -31.16 67.4 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.359 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 77' ' ' LEU . 5.0 mt -60.52 -38.74 85.36 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.212 0.53 . . . . 0.0 110.356 175.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.679 ' SD ' ' HB3' ' A' ' 29' ' ' PHE . 43.0 ttp -58.65 -50.59 73.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.179 175.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -65.37 -37.24 86.43 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.906 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.3 m -60.16 -45.55 92.7 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.549 ' HB2' HD12 ' A' ' 47' ' ' ILE . 10.3 p30 -67.63 -27.58 67.0 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.837 -177.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 64.5 m -62.95 -45.75 90.98 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.708 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -73.57 -24.96 60.16 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.094 0.473 . . . . 0.0 110.165 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 81' ' ' ASN . 2.9 ttpp -68.85 -34.38 75.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.073 -178.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.561 ' HB2' HD11 ' A' ' 47' ' ' ILE . 72.7 t80 -88.47 -59.69 2.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.122 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -81.4 136.11 49.56 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.06 -170.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -66.58 164.48 28.72 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.906 2.404 . . . . 0.0 112.059 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -42.9 -40.28 8.24 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 124.347 3.365 . . . . 0.0 114.795 -171.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -112.19 90.79 3.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.193 0.52 . . . . 0.0 111.057 -177.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.653 ' O ' HG22 ' A' ' 93' ' ' VAL . 6.8 t-80 -150.73 157.04 42.47 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.6 -41.96 82.29 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -176.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -21.7 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.944 0.349 . . . . 0.0 111.944 -173.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 90' ' ' HIS . 12.8 m -84.52 -34.31 9.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.278 -0.569 . . . . 0.0 109.688 176.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.74 -42.73 94.97 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.393 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 57.3 mtm -70.51 -33.31 71.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.353 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.26 -44.17 76.18 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.142 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 54.6 mtt180 -65.16 -41.44 94.67 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 111.475 -177.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -66.44 -46.74 75.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.192 0.52 . . . . 0.0 111.016 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.554 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -63.44 -27.1 69.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.3 174.337 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.652 ' O ' ' HB2' ' A' ' 104' ' ' GLU . 55.7 tp60 -64.55 -36.49 84.39 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -61.58 -49.39 76.84 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.722 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.602 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.5 p -64.43 -56.15 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.283 178.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -54.17 -38.62 65.78 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.652 ' HB2' ' O ' ' A' ' 100' ' ' GLN . 0.7 OUTLIER -59.27 -53.03 62.92 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.845 0.355 . . . . 0.0 111.22 177.146 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -65.35 -33.58 76.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.99 -175.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 29.0 mmt180 -66.32 -47.85 72.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.457 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -71.88 -24.18 61.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.236 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.77 -44.82 65.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.849 0.357 . . . . 0.0 110.82 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -70.14 -21.61 63.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.407 ' HE2' ' HG3' ' A' ' 6' ' ' GLN . 2.0 tmt? -65.27 115.64 23.41 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.886 178.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -90.47 154.61 4.41 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.761 2.308 . . . . 0.0 112.053 176.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.041 178.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 44.1 m80 . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 43.9 t30 66.51 -79.42 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 O-C-N 124.069 0.856 . . . . 0.0 111.108 -177.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 62.7 tp -151.9 107.71 3.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.996 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 42.5 mt -99.38 141.18 32.49 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.293 0.568 . . . . 0.0 110.654 178.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -87.02 166.7 14.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.389 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 28.7 pt -120.32 3.95 6.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -172.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 287' ' ' ALY . . . . . 0.457 ' NZ ' HG11 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -85.25 57.39 4.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.267 0.555 . . . . 0.0 111.466 -178.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -99.1 128.21 45.19 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 172.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 23.6 tp 65.18 81.34 0.21 Allowed 'General case' 0 C--N 1.331 -0.201 0 O-C-N 124.001 0.813 . . . . 0.0 110.367 -174.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -109.95 148.64 31.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.276 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.522 -0.752 . . . . 0.0 110.147 178.18 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 112.123 -0.391 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -90.75 119.24 30.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.582 -0.155 . . . . 0.0 110.582 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.2 mt 66.27 110.06 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.591 0.557 . . . . 0.0 111.605 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.4 m -66.45 167.42 10.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.92 173.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -51.92 -45.04 64.11 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 111.625 -175.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.417 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 1.2 mp0 -61.29 -42.27 98.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.471 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.531 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 90.1 mt -76.25 -23.26 54.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.393 0.616 . . . . 0.0 111.018 -178.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -72.44 -37.95 68.44 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 173.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -69.01 -35.15 76.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.85 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.583 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 13.7 p -69.56 -29.5 67.09 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 120.656 -0.417 . . . . 0.0 110.176 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -66.93 -40.36 87.58 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.049 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.51 -40.76 53.49 Favored Glycine 0 N--CA 1.453 -0.233 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.616 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.527 HG12 ' HB3' ' A' ' 106' ' ' ARG . 84.7 mt -61.23 -50.67 79.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.743 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.703 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.5 tt -55.22 -46.46 75.94 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.37 178.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -57.5 -41.0 79.89 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.295 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -68.33 -43.81 76.73 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.402 -176.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.52 -24.0 67.63 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.5 mt -91.1 -10.58 41.45 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.131 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.2 m -72.03 146.89 47.34 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.955 0.407 . . . . 0.0 110.557 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HA ' ' HB2' ' A' ' 23' ' ' ALA . 71.1 mmtt -58.86 -18.82 36.15 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.761 -176.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -55.32 -40.71 71.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.083 173.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -105.18 -14.78 15.27 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.407 -176.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' A' ' 20' ' ' LYS . . . -48.59 -34.77 12.16 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -175.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.84 -29.28 40.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.468 0.48 . . . . 0.0 111.641 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -135.94 16.61 3.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.063 0.459 . . . . 0.0 111.009 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.483 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -113.71 -12.34 12.81 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.6 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.4 p-90 -56.39 -34.31 24.82 Favored Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -176.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.9 Cg_endo -55.16 -23.37 36.13 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 121.581 1.521 . . . . 0.0 113.083 177.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.672 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 1.7 m-85 -109.64 -8.22 14.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.725 -172.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -55.39 -55.02 36.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.644 0.259 . . . . 0.0 110.754 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -140.69 155.75 69.3 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.705 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.582 ' HD3' ' OD2' ' A' ' 52' ' ' ASP . 12.9 Cg_endo -54.35 143.74 64.14 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.602 2.868 . . . . 0.0 113.041 -174.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.511 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -63.97 143.17 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.911 -178.354 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -87.82 73.23 9.28 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.34 -29.61 48.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.851 -175.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.8 t -66.3 -44.95 82.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.854 0.359 . . . . 0.0 110.695 176.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.75 -25.21 35.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.258 0.552 . . . . 0.0 110.867 -178.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.427 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 36.3 mt -81.24 -11.98 59.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.395 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.79 9.37 85.58 Favored Glycine 0 N--CA 1.454 -0.116 0 C-N-CA 120.951 -0.643 . . . . 0.0 112.27 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.479 HD11 ' HG2' ' B' ' 287' ' ' ALY . 9.7 mt -84.17 94.53 8.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.986 0.422 . . . . 0.0 110.385 -177.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -85.09 -0.14 53.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.311 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -125.08 21.8 8.05 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -67.27 -39.35 86.06 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.183 -0.323 . . . . 0.0 111.511 -176.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -84.04 -1.56 55.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.969 0.414 . . . . 0.0 111.051 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -87.8 -31.36 19.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.015 0.436 . . . . 0.0 110.338 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 mp -95.93 -44.88 13.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.152 -177.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.548 HD11 ' HB2' ' A' ' 85' ' ' TYR . 16.5 mm -87.3 107.86 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.688 0.28 . . . . 0.0 111.255 -176.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.586 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -87.82 -24.18 23.8 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.668 175.715 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -120.89 69.4 17.44 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.562 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.74 103.38 1.32 Allowed 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.357 2.038 . . . . 0.0 112.243 176.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.602 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 32.4 tpp -132.95 152.66 51.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.845 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.582 ' OD2' ' HD3' ' A' ' 32' ' ' PRO . 4.7 p-10 -138.99 162.14 35.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.596 177.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.5 mt -61.73 -35.08 77.05 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.4 t -68.69 -29.35 67.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.666 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.602 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 23.9 m -81.11 -35.26 31.84 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 122.385 -0.197 . . . . 0.0 111.086 175.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 52' ' ' ASP . 83.3 t -58.92 -45.19 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.678 0.751 . . . . 0.0 109.126 174.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.703 ' HG3' HD13 ' A' ' 14' ' ' LEU . 14.8 tttm -65.06 -41.02 95.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.175 178.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -56.03 -50.74 70.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.034 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -71.58 -29.26 64.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.754 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 29.4 ttm -66.16 -37.07 84.76 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 171.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 34.1 mt-10 -64.62 -32.92 74.79 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.935 0.398 . . . . 0.0 110.62 177.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.482 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -82.5 -3.29 55.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.428 0.632 . . . . 0.0 109.559 179.229 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 57.25 35.99 26.82 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 114.182 -1.372 . . . . 0.0 111.325 175.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -74.68 -15.74 60.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.55 174.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.496 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.8 OUTLIER -82.49 137.97 34.47 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.677 179.402 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -99.11 -32.16 11.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.742 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -145.0 165.82 27.08 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.903 0.382 . . . . 0.0 110.073 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.417 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -70.62 -17.57 62.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.526 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -67.35 -37.8 83.81 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 176.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -68.69 -32.17 71.79 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.037 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.614 ' O ' HG12 ' A' ' 75' ' ' VAL . 6.6 t80 -66.29 -52.15 50.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.78 171.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.437 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . . . -55.44 -38.56 69.17 Favored 'General case' 0 CA--C 1.519 -0.231 0 O-C-N 123.355 0.409 . . . . 0.0 110.675 178.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 77' ' ' LEU . . . -54.28 -48.74 70.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.642 175.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -75.89 -45.35 35.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.706 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 71' ' ' PHE . 3.4 p -69.96 -41.07 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -177.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -72.32 -27.39 62.4 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.619 -0.833 . . . . 0.0 109.599 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -62.68 -34.75 77.76 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.888 0.375 . . . . 0.0 110.032 172.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.672 ' SD ' ' HB3' ' A' ' 29' ' ' PHE . 44.3 ttp -59.69 -49.8 76.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.88 175.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -65.78 -33.05 74.96 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.847 0.356 . . . . 0.0 110.918 177.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.0 m -68.07 -43.07 79.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.78 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.561 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 12.8 p30 -65.97 -31.95 73.15 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.279 -0.569 . . . . 0.0 110.061 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 63.4 m -60.05 -42.55 94.72 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.992 175.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -70.93 -24.06 62.37 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.323 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -68.7 -50.3 51.98 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.089 0.471 . . . . 0.0 110.358 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.548 ' HB2' HD11 ' A' ' 47' ' ' ILE . 65.5 t80 -74.02 -60.83 2.08 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.359 -172.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -81.34 130.06 63.86 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.406 -172.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -59.33 154.14 48.9 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.48 2.12 . . . . 0.0 111.019 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.58 -18.6 8.75 Favored 'Trans proline' 0 N--CA 1.477 0.542 0 C-N-CA 124.337 3.358 . . . . 0.0 114.154 -172.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -112.42 86.0 2.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.986 0.422 . . . . 0.0 110.107 174.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.618 ' O ' HG22 ' A' ' 93' ' ' VAL . 6.9 t-80 -161.11 151.09 17.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -53.44 -42.51 67.19 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -175.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.404 HG21 ' HD3' ' B' ' 287' ' ' ALY . 0.1 OUTLIER -67.5 -28.91 43.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -172.412 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 90' ' ' HIS . 13.7 m -79.36 -35.58 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.186 -0.606 . . . . 0.0 109.833 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.31 92.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.253 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 53.0 mtm -68.36 -35.83 78.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.255 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.01 -36.21 79.6 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.71 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 75.7 mtp180 -68.64 -43.44 76.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.062 0.458 . . . . 0.0 111.411 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -69.47 -46.26 67.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.992 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.6 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -62.47 -27.59 69.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.218 173.509 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.437 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 25.2 tp60 -61.79 -40.15 94.21 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 24.1 t70 -62.71 -48.17 80.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.469 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.549 HG23 ' CZ ' ' A' ' 106' ' ' ARG . 1.6 p -64.17 -54.74 27.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.776 178.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -56.11 -40.44 73.71 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.835 -0.166 . . . . 0.0 111.424 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 101' ' ' ASP . 5.6 pt-20 -68.69 -38.65 80.47 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.456 -177.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -66.53 -43.78 84.24 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.549 ' CZ ' HG23 ' A' ' 102' ' ' VAL . 1.8 mpt_? -60.1 -42.05 93.85 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.245 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.437 ' CE1' ' HB2' ' A' ' 72' ' ' ALA . 45.6 t80 -76.14 -35.91 59.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.041 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.24 -37.91 86.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.459 0.647 . . . . 0.0 110.656 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -71.12 -26.63 63.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.092 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -72.06 121.24 84.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.991 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -90.63 153.7 4.25 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.698 2.265 . . . . 0.0 112.582 174.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.271 178.109 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 281' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' B' ' 282' ' ' ASN . 98.4 m-70 . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 282' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' B' ' 281' ' ' HIS . 92.3 m-20 69.03 -76.23 0.06 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.383 -176.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 26.7 tp 52.3 47.11 25.41 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.595 0.712 . . . . 0.0 110.604 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 92.6 mt -100.32 158.29 15.99 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.06 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -85.23 167.94 15.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.189 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 39.2 pt -125.99 14.41 4.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.464 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 287' ' ' ALY . . . . . 0.511 ' NZ ' HG11 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -88.67 60.77 5.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.359 0.6 . . . . 0.0 110.455 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -96.32 68.6 2.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.105 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 29.0 tp -109.1 81.71 1.48 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.007 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.84 67.73 10.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.707 -176.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.045 -0.979 . . . . 0.0 111.116 178.389 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 66.85 155.73 0.1 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.471 0.653 . . . . 0.0 111.533 -178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.4 mt -104.09 102.62 12.36 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.828 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.1 t -79.19 -172.55 3.2 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -50.9 -48.23 60.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.877 0.37 . . . . 0.0 111.042 -176.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.579 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 15.2 mp0 -63.41 -51.51 65.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.047 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.658 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 95.9 mt -73.06 -24.0 60.63 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.932 0.396 . . . . 0.0 111.865 -175.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -73.85 -36.29 64.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 172.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.442 ' O ' HG13 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -70.17 -38.07 75.33 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.722 178.013 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.658 ' SG ' ' HA ' ' A' ' 7' ' ' LEU . 13.9 p -68.29 -31.15 70.39 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.186 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -68.36 -37.77 80.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.094 0.473 . . . . 0.0 110.02 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.73 -41.01 44.01 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.353 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 9' ' ' HIS . 88.2 mt -61.99 -49.22 85.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.953 0.406 . . . . 0.0 110.268 178.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.658 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.3 tt -56.39 -44.67 80.47 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.657 177.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -57.43 -38.19 73.99 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.246 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.638 ' OE1' ' HD3' ' A' ' 106' ' ' ARG . 31.4 tt0 -71.97 -42.23 66.78 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.515 -176.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.2 mt -63.26 -22.43 66.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.185 0.516 . . . . 0.0 109.896 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.5 mt -92.35 -14.83 28.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.829 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.8 m -68.1 148.26 51.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.271 0.557 . . . . 0.0 110.971 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -62.08 -17.0 56.16 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.194 -172.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -59.69 -38.73 82.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.087 0.47 . . . . 0.0 110.537 173.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -103.35 -16.62 15.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.422 -175.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.41 -34.07 10.28 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.877 0.735 . . . . 0.0 112.581 -177.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.57 -21.74 40.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.98 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -141.48 19.19 2.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.972 0.415 . . . . 0.0 110.841 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.452 ' C ' ' HD2' ' A' ' 28' ' ' PRO . . . -116.57 -14.24 10.88 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.342 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.614 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.5 p-90 -55.47 -34.07 22.29 Favored Pre-proline 0 CA--C 1.547 0.86 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -176.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -53.46 -23.75 25.78 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 121.736 1.624 . . . . 0.0 113.182 177.114 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.518 ' CD1' HD12 ' A' ' 99' ' ' LEU . 1.6 m-85 -110.83 -8.97 14.48 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -171.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -55.22 -57.4 11.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.685 0.278 . . . . 0.0 110.872 176.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -127.92 155.03 78.27 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -174.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -53.51 141.51 62.27 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.252 2.635 . . . . 0.0 112.295 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.55 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.8 OUTLIER -66.79 141.82 17.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.693 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -86.9 67.97 9.96 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.57 -43.8 62.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.327 -170.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.6 m -60.7 -38.93 86.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.911 0.386 . . . . 0.0 110.559 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.13 -31.14 61.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.803 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.534 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -88.99 4.55 47.82 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 119.714 -0.794 . . . . 0.0 110.862 179.319 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.25 16.54 78.2 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.767 176.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.534 ' HG ' ' HB2' ' A' ' 38' ' ' LEU . 9.5 mt -92.46 93.14 8.42 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.076 0.465 . . . . 0.0 109.855 -178.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -85.41 -7.84 58.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.227 -174.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.469 ' OD2' ' HD3' ' B' ' 285' ' ' ARG . 15.9 p30 -112.76 13.29 19.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.152 -0.477 . . . . 0.0 112.161 -175.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -62.8 -40.61 97.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -173.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -83.33 -3.51 57.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.909 0.385 . . . . 0.0 110.986 -176.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -91.57 -40.53 11.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.236 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -81.51 -47.18 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.973 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.593 HD11 ' HB2' ' A' ' 85' ' ' TYR . 20.4 mm -85.22 108.13 16.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.455 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -94.54 -19.92 20.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.703 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -123.49 67.28 37.27 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.121 175.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.04 104.94 1.44 Allowed 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.608 2.205 . . . . 0.0 112.286 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.595 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 29.8 tpp -130.33 150.42 51.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.912 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.74 148.97 49.03 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -175.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.0 mt -56.34 -42.44 77.7 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.583 0.629 . . . . 0.0 112.065 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.8 m -62.11 -28.8 69.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.668 0.271 . . . . 0.0 111.14 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.595 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 2.5 m -81.21 -35.37 31.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.701 0.286 . . . . 0.0 110.437 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.17 -47.52 93.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.466 0.651 . . . . 0.0 109.318 174.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.658 ' HG3' HD13 ' A' ' 14' ' ' LEU . 9.4 tttm -63.34 -41.18 98.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.845 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -55.78 -52.14 64.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.191 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -71.04 -28.51 64.43 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.506 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 27.2 ttm -67.2 -38.13 84.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.217 171.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 44.5 mt-10 -66.97 -30.94 71.2 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.537 178.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.444 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -79.96 -2.78 45.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.494 0.664 . . . . 0.0 109.382 176.212 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 56.48 34.68 24.72 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 114.374 -1.285 . . . . 0.0 111.205 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.45 -10.53 59.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.708 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.469 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 1.3 m-30 -86.92 144.77 26.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.643 178.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -98.81 -35.67 10.05 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.339 176.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -148.67 179.66 7.66 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.413 0.625 . . . . 0.0 112.065 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.579 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -75.71 -16.12 60.2 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.607 -177.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -75.66 -37.09 59.92 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -65.84 -33.44 75.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.082 0.467 . . . . 0.0 109.928 173.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.629 ' CG ' ' HB2' ' A' ' 10' ' ' CYS . 7.4 t80 -63.65 -54.76 30.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.552 172.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.808 ' O ' ' HG3' ' A' ' 76' ' ' ARG . . . -53.07 -46.42 68.56 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.976 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.77 -44.95 49.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.137 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -77.44 -46.56 22.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.452 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.6 p -66.26 -40.46 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 120.53 0.205 . . . . 0.0 111.522 -178.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.808 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 11.6 mtp180 -69.67 -33.24 72.3 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 77' ' ' LEU . 3.8 mt -59.89 -35.27 74.48 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.981 175.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.689 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 11.9 tmm? -64.07 -51.17 65.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.959 177.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -60.26 -37.16 79.56 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.047 0.451 . . . . 0.0 110.457 176.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.1 m -64.07 -46.01 86.22 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.988 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.689 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 11.8 p30 -66.21 -30.86 71.4 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.65 -176.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 20.4 t -62.83 -44.42 96.19 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.474 176.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -66.33 -24.92 66.61 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.992 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -69.52 -48.88 59.08 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.044 0.449 . . . . 0.0 110.782 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.593 ' HB2' HD11 ' A' ' 47' ' ' ILE . 65.1 t80 -78.2 -59.18 2.89 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.993 -172.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -82.73 128.12 67.43 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.358 -172.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -61.15 153.34 65.43 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.366 2.044 . . . . 0.0 111.723 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -51.13 -19.21 5.73 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 124.74 3.627 . . . . 0.0 114.705 -172.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -110.28 66.72 0.63 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.12 0.486 . . . . 0.0 110.562 176.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.668 ' O ' HG22 ' A' ' 93' ' ' VAL . 21.5 t-80 -145.42 147.54 32.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.481 177.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -51.1 -44.17 61.23 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -174.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -26.43 38.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -172.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 90' ' ' HIS . 9.9 m -81.26 -35.31 14.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.03 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.04 -39.24 86.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.011 176.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 54.3 mtm -71.2 -35.6 71.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.445 177.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.92 -28.7 66.9 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.345 0.593 . . . . 0.0 110.086 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.456 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 41.9 ttp180 -77.08 -42.93 36.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.057 -177.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -72.76 -40.51 65.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.117 0.484 . . . . 0.0 110.612 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.518 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -65.23 -27.08 68.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 173.042 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.456 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 7.1 tp-100 -61.96 -43.42 98.88 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 172.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -56.14 -48.43 76.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.545 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 99' ' ' LEU . 1.4 p -69.37 -53.61 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 121.084 -0.246 . . . . 0.0 111.554 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.511 ' CE2' ' HG2' ' A' ' 76' ' ' ARG . 5.3 t80 -55.77 -38.99 70.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.639 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -73.55 -30.82 63.29 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -176.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -69.62 -36.93 76.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.579 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.638 ' HD3' ' OE1' ' A' ' 16' ' ' GLU . 6.6 mmm180 -64.87 -51.96 59.18 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.249 178.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -68.97 -32.62 72.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.778 -177.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.34 81.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.956 0.408 . . . . 0.0 111.054 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -87.56 -9.49 54.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.692 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -76.24 120.5 81.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.011 173.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -83.55 147.08 12.33 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.13 1.887 . . . . 0.0 112.526 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.469 -0.777 . . . . 0.0 109.908 179.942 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 54.2 t60 . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 121.07 0.462 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -95.68 -43.62 7.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.242 0.544 . . . . 0.0 109.585 175.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 6.7 mp -89.95 156.05 18.7 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.171 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 62.3 tp -114.6 143.73 44.53 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 285' ' ' ARG . . . . . 0.469 ' HD3' ' OD2' ' A' ' 42' ' ' ASP . 5.7 mpt_? -73.01 143.63 47.49 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 40.2 pt -95.26 132.25 39.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.071 0.462 . . . . 0.0 109.941 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 287' ' ' ALY . . . . . 0.55 ' NZ ' HG11 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.8 65.97 3.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.637 0.732 . . . . 0.0 109.898 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -116.74 45.89 1.74 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.649 176.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 80.3 mt -74.52 85.35 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.065 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -80.27 109.69 14.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.729 -176.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.247 0.931 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.404 179.295 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 48.9 mmtm 61.95 85.34 0.12 Allowed 'General case' 0 C--O 1.234 0.278 0 C-N-CA 122.757 0.423 . . . . 0.0 110.781 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 76.5 mt 69.36 113.99 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.801 -175.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.3 t -70.16 169.63 13.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.624 175.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -53.12 -44.79 67.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.306 0.574 . . . . 0.0 110.134 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.501 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 1.6 mp0 -60.16 -42.14 94.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.33 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.573 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 93.1 mt -78.43 -26.47 46.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.518 -175.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.69 -35.64 67.7 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 174.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -71.81 -33.98 68.97 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.092 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.573 ' SG ' ' HA ' ' A' ' 7' ' ' LEU . 13.7 p -69.08 -29.42 67.51 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -67.65 -39.18 84.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.623 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.28 -42.01 58.2 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.692 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.422 HG12 ' HB3' ' A' ' 106' ' ' ARG . 97.2 mt -61.35 -49.29 85.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 0.0 110.536 178.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.693 HD13 ' HG3' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -58.04 -46.84 84.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.63 178.716 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -55.32 -37.43 67.4 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.139 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.499 ' CD ' ' HE ' ' A' ' 106' ' ' ARG . 27.4 tt0 -75.97 -42.27 48.91 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.128 -176.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.93 -21.76 66.62 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.9 mt -92.7 -11.92 32.8 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.292 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.0 p -69.3 150.13 47.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.293 0.568 . . . . 0.0 110.755 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 23' ' ' ALA . 31.4 mmtp -62.65 -14.54 44.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.853 -176.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -62.9 -37.15 85.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.677 175.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -104.66 -13.41 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.251 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.4 ' HB2' ' HA ' ' A' ' 20' ' ' LYS . . . -48.24 -35.74 12.58 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.77 -28.38 34.39 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.856 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -136.36 19.95 3.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.926 0.393 . . . . 0.0 110.765 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.421 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -117.47 -11.51 10.51 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.586 ' CD2' ' HD3' ' A' ' 28' ' ' PRO . 68.7 p-90 -56.3 -35.49 35.62 Favored Pre-proline 0 CA--C 1.546 0.799 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -176.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.586 ' HD3' ' CD2' ' A' ' 27' ' ' TRP . 2.4 Cg_endo -56.11 -20.24 30.06 Favored 'Trans proline' 0 C--N 1.367 1.508 0 C-N-CA 121.572 1.514 . . . . 0.0 113.427 177.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.549 ' CD1' HD12 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -112.5 -8.19 13.87 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -173.335 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -57.09 -56.0 27.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.798 0.333 . . . . 0.0 110.918 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -129.83 154.6 81.09 Favored Pre-proline 0 N--CA 1.446 -0.666 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.618 -174.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -53.99 138.08 69.73 Favored 'Trans proline' 0 C--O 1.236 0.413 0 C-N-CA 122.94 2.427 . . . . 0.0 112.257 177.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.453 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.8 OUTLIER -62.13 143.41 15.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.836 -178.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -89.14 70.5 8.37 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.831 -177.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' HB1' ' HB2' ' A' ' 40' ' ' LEU . . . -52.51 -36.68 55.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.411 -176.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.3 m -59.97 -42.22 93.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.003 0.43 . . . . 0.0 111.055 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.55 -26.01 26.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.199 0.523 . . . . 0.0 110.768 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.415 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 41.2 mt -80.99 -7.69 59.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.072 -178.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.67 7.26 88.32 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.035 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.54 HD11 ' HG2' ' B' ' 287' ' ' ALY . 9.1 mt -85.82 92.28 8.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.06 0.457 . . . . 0.0 110.15 -177.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -85.55 3.31 41.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.104 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -126.97 18.62 7.17 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -176.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -64.92 -41.28 95.69 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.074 -0.391 . . . . 0.0 111.268 -174.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -77.4 -11.51 59.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.737 -177.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -84.42 -41.97 16.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.068 0.461 . . . . 0.0 110.227 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -80.87 -43.95 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.775 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.675 HD11 ' HB2' ' A' ' 85' ' ' TYR . 13.7 mm -89.02 109.87 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.789 -178.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -92.11 -24.69 19.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.682 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -120.56 70.41 17.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.148 174.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.43 99.87 0.63 Allowed 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.517 2.145 . . . . 0.0 111.889 176.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.625 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 31.5 tpp -126.77 145.65 50.54 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.324 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -136.87 156.01 49.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.787 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.6 mt -58.24 -38.79 77.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 118.092 0.405 . . . . 0.0 111.984 -176.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.4 p -60.2 -35.62 75.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.905 0.384 . . . . 0.0 110.903 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.625 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 2.5 m -78.81 -34.33 45.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.79 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.8 t -60.65 -46.19 96.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.693 ' HG3' HD13 ' A' ' 14' ' ' LEU . 14.3 tttt -65.55 -39.37 91.66 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.14 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 55' ' ' THR . 76.1 ttt180 -53.02 -52.39 58.6 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.27 175.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -74.86 -28.05 60.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.926 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 29.6 ttm -64.66 -40.61 95.72 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.233 170.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -65.72 -29.07 69.55 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 120.978 0.418 . . . . 0.0 110.885 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.86 -2.0 49.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.397 0.618 . . . . 0.0 109.78 176.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 58.03 33.65 23.4 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.527 176.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -73.35 -20.02 60.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.288 0.566 . . . . 0.0 110.479 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.514 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.8 OUTLIER -82.98 133.19 35.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.617 -178.448 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -90.16 -34.12 15.97 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.843 0.354 . . . . 0.0 110.504 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -143.63 168.38 20.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.166 -174.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.501 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -71.76 -15.94 62.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.237 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -69.93 -36.63 75.49 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.449 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -67.54 -35.36 78.93 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.261 0.553 . . . . 0.0 109.853 174.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.645 ' O ' HG12 ' A' ' 75' ' ' VAL . 4.9 t80 -63.29 -53.19 56.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.713 172.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.49 ' HA ' ' CG1' ' A' ' 75' ' ' VAL . . . -54.69 -39.05 67.75 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.387 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.73 78.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.126 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.2 -45.05 27.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.178 -0.464 . . . . 0.0 112.035 -176.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.645 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.7 p -65.27 -40.67 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.732 0.301 . . . . 0.0 110.999 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -68.87 -31.87 71.11 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -33.13 75.25 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.479 177.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.655 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 12.6 tmm? -63.25 -51.74 64.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.386 175.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -59.07 -34.72 72.29 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.112 0.482 . . . . 0.0 110.512 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.3 m -68.04 -46.1 72.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.033 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.655 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 11.8 p30 -66.83 -25.91 66.66 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.556 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 20.0 t -66.4 -46.47 76.5 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.388 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -66.23 -23.9 66.51 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.221 0.534 . . . . 0.0 110.343 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -42.55 51.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.61 -176.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.675 ' HB2' HD11 ' A' ' 47' ' ' ILE . 83.2 t80 -82.42 -52.04 7.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.967 0.413 . . . . 0.0 111.149 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -85.91 131.52 46.72 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.034 -174.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -63.31 157.16 51.65 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.412 2.075 . . . . 0.0 111.696 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -50.14 -25.13 12.42 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 124.531 3.487 . . . . 0.0 114.9 -169.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -113.81 76.67 1.0 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.256 0.55 . . . . 0.0 110.408 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.662 ' O ' HG22 ' A' ' 93' ' ' VAL . 20.8 t-80 -143.91 154.06 42.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -55.71 -41.9 74.48 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -174.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -30.03 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.734 -173.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 90' ' ' HIS . 13.6 m -76.87 -34.12 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.89 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.87 -40.67 83.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.444 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 54.9 mtm -70.43 -36.98 74.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.312 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.24 -32.43 73.85 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.441 0.639 . . . . 0.0 109.751 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.482 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 53.2 ttt180 -70.01 -45.93 66.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.159 -177.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -70.7 -41.24 72.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 110.9 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.549 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -64.76 -26.4 68.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.031 173.309 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' A' ' 104' ' ' GLU . 7.6 tp-100 -64.68 -38.66 91.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 173.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -62.38 -46.7 87.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.381 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.633 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.5 p -66.36 -55.7 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.812 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -53.3 -37.81 62.58 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 123.194 0.309 . . . . 0.0 111.814 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.484 ' HB2' ' O ' ' A' ' 100' ' ' GLN . 0.7 OUTLIER -60.01 -54.72 42.65 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.841 0.353 . . . . 0.0 110.98 177.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -64.41 -32.11 73.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.766 -177.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 55.2 mmt-85 -66.19 -44.06 85.05 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.415 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -72.42 -29.18 63.49 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.714 -0.395 . . . . 0.0 109.956 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.15 -48.48 78.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 110.773 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -67.59 -29.09 68.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.347 0.594 . . . . 0.0 109.907 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -67.94 123.74 87.85 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.322 176.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -87.42 144.46 6.77 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.066 1.844 . . . . 0.0 112.439 175.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 . . . . . 0 C--O 1.248 0.974 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.573 179.667 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 36.7 m80 . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 55.19 65.13 1.57 Allowed 'General case' 0 C--N 1.332 -0.167 0 O-C-N 123.735 0.647 . . . . 0.0 110.785 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 42.2 tp -76.0 67.9 2.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.474 0.654 . . . . 0.0 109.678 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 284' ' ' LEU . . . . . 0.494 ' C ' ' HD2' ' B' ' 285' ' ' ARG . 25.7 mt -82.98 -86.97 0.1 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.335 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 285' ' ' ARG . . . . . 0.494 ' HD2' ' C ' ' B' ' 284' ' ' LEU . 7.3 mpt_? -134.51 166.17 23.5 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.785 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 35.4 pt -128.48 15.58 2.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.266 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 287' ' ' ALY . . . . . 0.54 ' HG2' HD11 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -81.17 53.01 1.92 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.658 0.742 . . . . 0.0 109.992 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -109.05 66.12 0.63 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.321 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 68.3 mt -102.25 121.35 42.08 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -81.32 63.95 5.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.599 0.714 . . . . 0.0 110.565 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 C--O 1.247 0.963 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.122 179.364 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 34.7 mmtp 62.91 67.15 0.7 Allowed 'General case' 0 C--N 1.332 -0.158 0 O-C-N 123.654 0.267 . . . . 0.0 110.473 -178.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 66.6 mt 73.88 117.19 0.05 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.534 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.6 t -65.74 164.03 15.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.272 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -53.54 -45.35 69.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.974 0.416 . . . . 0.0 111.082 -176.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -61.71 -40.4 94.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.223 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.56 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 96.8 mt -76.11 -23.74 54.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.314 0.578 . . . . 0.0 111.082 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -73.83 -34.03 64.38 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 172.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -71.68 -34.83 70.0 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.807 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.576 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 14.5 p -70.27 -31.12 68.34 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.196 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -65.15 -40.4 94.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.22 0.534 . . . . 0.0 109.888 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.26 -39.88 61.65 Favored Glycine 0 N--CA 1.451 -0.31 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.543 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.442 HG12 ' HB3' ' A' ' 106' ' ' ARG . 95.1 mt -63.13 -48.46 87.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.778 0.323 . . . . 0.0 110.665 178.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.692 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.2 tt -58.22 -44.9 88.44 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.55 178.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -58.41 -37.54 75.54 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.072 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -71.7 -41.84 68.11 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.066 -176.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.85 -21.91 66.5 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.1 mt -92.07 -10.67 38.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.997 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.4 m -69.87 149.94 47.32 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.176 0.512 . . . . 0.0 110.901 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 5.5 tmtp? -61.21 -20.95 63.38 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.151 -174.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -58.16 -35.79 72.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.189 175.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -106.8 -14.88 14.88 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.476 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.409 ' HB3' ' HD3' ' A' ' 20' ' ' LYS . . . -49.31 -34.19 15.0 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -176.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.29 -21.77 37.09 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.542 0.527 . . . . 0.0 112.021 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -141.98 20.15 2.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.931 0.396 . . . . 0.0 110.941 178.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.487 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -119.25 -14.76 9.22 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.57 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.597 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 69.5 p-90 -54.87 -36.04 40.23 Favored Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -174.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 6.9 Cg_endo -56.67 -23.31 48.57 Favored 'Trans proline' 0 C--N 1.367 1.544 0 C-N-CA 121.587 1.525 . . . . 0.0 113.094 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.556 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 2.2 m-85 -106.16 -8.38 17.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.202 -173.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -54.32 -51.26 65.24 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.585 174.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.418 ' NZ ' ' HB2' ' A' ' 31' ' ' LYS . 9.6 mtmp? -139.94 155.72 70.85 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.582 -177.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.96 139.67 60.34 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.594 2.863 . . . . 0.0 112.902 -177.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.84 143.39 14.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 177.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -85.31 62.79 7.71 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.26 -43.91 43.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.013 -0.994 . . . . 0.0 112.567 -170.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.9 m -61.8 -39.12 90.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.896 0.379 . . . . 0.0 111.317 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.79 -26.65 34.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.318 0.58 . . . . 0.0 110.635 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.45 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 38.4 mt -75.99 -9.53 58.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.041 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.15 8.83 77.88 Favored Glycine 0 N--CA 1.452 -0.238 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.503 HD11 ' HG2' ' B' ' 287' ' ' ALY . 6.3 mt -95.49 83.8 3.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.282 -0.459 . . . . 0.0 110.256 -176.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -84.64 0.9 48.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.108 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -107.59 8.5 29.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.275 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -68.6 -44.52 74.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -169.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -83.22 5.15 23.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.922 0.391 . . . . 0.0 111.362 -177.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -98.53 -44.41 6.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.482 174.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -74.48 -48.7 34.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.68 HD12 ' HB2' ' A' ' 81' ' ' ASN . 32.8 mm -87.74 105.98 15.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.986 -176.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 24.7 mmtp -86.2 -24.23 26.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.954 179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -121.16 69.03 18.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.576 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -70.19 109.36 2.38 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.348 2.032 . . . . 0.0 111.457 173.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.605 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 30.5 tpp -133.18 149.66 52.03 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.162 -179.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.8 m-20 -138.11 152.84 49.14 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -177.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.579 ' HG ' ' HE1' ' A' ' 78' ' ' MET . 36.5 mt -54.67 -39.8 68.43 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 118.182 0.446 . . . . 0.0 111.71 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.4 p -57.04 -42.96 81.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.957 0.408 . . . . 0.0 110.839 176.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.605 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 3.6 m -74.88 -34.45 62.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 52' ' ' ASP . 99.5 t -60.06 -47.12 93.11 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.366 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.692 ' HG3' HD13 ' A' ' 14' ' ' LEU . 11.2 tttm -66.36 -41.58 89.27 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.909 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -54.63 -51.82 64.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.066 177.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -70.06 -28.65 65.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.581 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 27.7 ttm -68.19 -36.33 79.4 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 173.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.414 ' OE1' ' HA ' ' A' ' 61' ' ' GLU . 6.0 mm-40 -66.94 -32.13 73.17 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.432 178.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.445 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -82.62 -0.89 49.18 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.226 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 56.72 35.45 26.2 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.384 -1.28 . . . . 0.0 111.415 175.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -13.14 61.77 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.234 174.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.473 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 1.3 m-30 -87.16 137.01 32.71 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.246 -176.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -95.65 -31.02 13.46 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.891 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -152.85 179.49 8.61 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.051 0.453 . . . . 0.0 110.653 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.27 -17.86 53.89 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.651 -177.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -70.39 -36.42 74.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.419 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -69.95 -31.7 69.57 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.86 176.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.637 ' O ' HG12 ' A' ' 75' ' ' VAL . 6.2 t80 -65.56 -52.5 51.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.614 171.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.07 -42.03 65.43 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.067 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.97 -46.37 78.63 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.377 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.67 -51.0 38.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.552 -178.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.7 p -66.8 -40.15 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.724 -176.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -69.23 -29.18 67.06 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.004 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 mt -65.49 -35.26 80.37 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.535 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.608 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 4.4 ttp -61.74 -47.38 85.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.93 175.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -66.31 -37.05 84.5 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.677 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.3 m -64.09 -47.09 81.42 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.72 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.68 ' HB2' HD12 ' A' ' 47' ' ' ILE . 9.5 p30 -66.73 -29.14 69.05 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.596 -176.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.421 ' SG ' ' HB ' ' A' ' 92' ' ' VAL . 15.6 t -63.18 -45.16 93.08 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.654 175.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.98 -23.93 66.68 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.564 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -74.36 -48.48 27.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.85 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.604 ' HB2' HD11 ' A' ' 47' ' ' ILE . 77.5 t80 -74.82 -50.56 16.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.303 0.573 . . . . 0.0 110.898 -177.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -97.84 131.75 26.17 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.026 -168.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.77 155.66 69.05 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.767 2.312 . . . . 0.0 111.471 176.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.38 -20.21 11.12 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 124.273 3.315 . . . . 0.0 114.021 -173.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -98.91 77.52 2.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.98 0.419 . . . . 0.0 110.367 176.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -161.03 169.58 22.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.96 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -67.76 -51.14 52.62 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.656 0.265 . . . . 0.0 111.585 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.421 ' HB ' ' SG ' ' A' ' 82' ' ' CYS . 3.7 m -63.36 -29.11 46.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -172.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.0 m -77.85 -33.9 19.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.92 0.39 . . . . 0.0 110.165 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.59 -40.86 69.6 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.974 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.437 ' HE1' ' HG3' ' A' ' 28' ' ' PRO . 52.2 mtm -71.03 -35.68 72.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.529 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 100' ' ' GLN . . . -69.82 -24.18 63.43 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 121.08 0.467 . . . . 0.0 109.838 177.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 42.2 ttm180 -79.53 -44.67 20.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -71.96 -42.26 66.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.579 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.506 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -64.84 -28.76 69.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.615 172.748 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.521 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 6.3 tp-100 -60.98 -40.89 95.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 174.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.12 -50.85 71.57 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.468 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.476 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.6 p -63.79 -54.56 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.246 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -56.26 -41.87 76.49 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.72 -27.36 62.96 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.493 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -74.25 -40.03 62.63 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 25.3 mmm180 -64.64 -39.26 93.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.669 -178.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -77.27 -34.2 55.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.58 -34.34 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.226 0.536 . . . . 0.0 110.539 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -79.13 -20.99 47.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.937 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -72.13 122.37 87.19 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.829 173.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -86.33 149.69 9.11 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.318 2.012 . . . . 0.0 112.73 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 31.4 t70 . . . . . 0 C--O 1.248 0.978 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.827 178.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 39.9 m80 . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -71.84 -62.63 1.35 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.206 -173.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.78 -62.43 1.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.725 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 24.3 mt -138.48 172.7 12.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.204 0.526 . . . . 0.0 110.769 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 285' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' B' ' 285' ' ' ARG . 7.2 mpt_? -107.18 156.56 18.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 33.8 pt -115.84 16.08 7.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -173.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 287' ' ' ALY . . . . . 0.503 ' HG2' HD11 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -83.08 59.49 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.328 0.585 . . . . 0.0 110.379 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -114.03 121.72 44.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.124 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 52.77 52.67 13.51 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.703 0.627 . . . . 0.0 110.015 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -81.65 70.02 8.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.675 -176.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.243 -0.884 . . . . 0.0 108.755 176.633 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 111.759 -0.537 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -121.54 168.4 11.78 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.785 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 3.9 mt 61.2 21.86 12.26 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.7 t 48.86 -170.11 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.828 0.823 . . . . 0.0 112.663 178.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -86.49 -49.73 7.37 Favored 'General case' 0 C--N 1.316 -0.856 0 O-C-N 121.897 -0.502 . . . . 0.0 110.179 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.53 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 1.6 mp0 -61.55 -45.51 93.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.785 ' HB2' ' O ' ' A' ' 3' ' ' LEU . 88.9 mt -75.52 -31.62 60.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.705 -175.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -64.22 -35.52 81.1 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.565 -0.709 . . . . 0.0 109.862 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -71.6 -34.86 70.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.971 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.602 ' SG ' ' HA ' ' A' ' 7' ' ' LEU . 14.5 p -71.11 -30.06 66.04 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.993 178.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -63.5 -41.59 98.52 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.008 176.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.86 -41.09 56.51 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.404 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.28 -50.21 81.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.34 . . . . 0.0 110.685 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.684 HD13 ' HG3' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -55.98 -49.27 74.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.642 178.255 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -53.05 -39.59 63.36 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.956 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -71.18 -45.3 63.71 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.487 -175.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.79 -22.49 66.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.771 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.4 ' CD1' ' HD2' ' A' ' 57' ' ' LYS . 47.6 mt -92.21 -9.97 40.3 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.159 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -75.23 147.92 39.91 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.271 0.558 . . . . 0.0 111.183 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HA ' ' CB ' ' A' ' 23' ' ' ALA . 30.4 mmtp -57.9 -22.22 47.38 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 114.96 -1.018 . . . . 0.0 112.058 -175.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -53.7 -39.38 65.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.199 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -106.25 -14.82 15.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.501 -177.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 20' ' ' LYS . . . -49.75 -33.19 15.51 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -175.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.82 -22.74 26.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.739 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -141.67 20.31 2.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.898 0.38 . . . . 0.0 110.819 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.455 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -117.14 -13.58 10.53 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.559 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.599 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 69.4 p-90 -56.27 -34.56 26.62 Favored Pre-proline 0 CA--C 1.548 0.9 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -176.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.3 Cg_endo -55.13 -17.32 14.6 Favored 'Trans proline' 0 C--N 1.372 1.776 0 C-N-CA 121.747 1.631 . . . . 0.0 113.375 176.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CD1' HD12 ' A' ' 99' ' ' LEU . 2.0 m-85 -114.35 -9.46 12.78 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -56.25 -54.41 45.62 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.695 0.283 . . . . 0.0 111.184 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -133.44 160.21 69.52 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.32 146.92 70.1 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.611 2.207 . . . . 0.0 111.998 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.413 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.8 OUTLIER -68.3 146.31 12.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.478 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -89.17 69.2 8.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.899 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.446 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -55.2 -30.33 59.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.132 -174.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.3 m -68.88 -39.48 79.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.76 0.314 . . . . 0.0 110.783 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.8 -21.25 29.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.189 0.519 . . . . 0.0 111.057 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.458 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 41.7 mt -85.45 -11.06 55.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.16 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.96 4.07 90.39 Favored Glycine 0 C--N 1.329 0.144 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.225 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.458 ' HG ' ' CB ' ' A' ' 38' ' ' LEU . 11.0 mt -81.46 85.43 6.48 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.96 0.409 . . . . 0.0 110.22 -177.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -74.68 -7.37 53.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.881 -175.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -120.01 19.54 12.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -174.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.442 ' CE1' HG13 ' A' ' 47' ' ' ILE . 86.3 t80 -62.27 -33.96 75.64 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.195 -0.316 . . . . 0.0 111.652 -175.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -85.12 -3.73 58.9 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -174.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -89.5 -47.18 8.15 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.728 0.775 . . . . 0.0 109.75 173.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.1 mp -75.45 -42.94 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.924 0 CA-C-N 114.379 -1.282 . . . . 0.0 111.279 -173.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.625 HD11 ' HB2' ' A' ' 85' ' ' TYR . 8.4 mm -87.29 98.69 7.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-O 121.094 0.473 . . . . 0.0 109.917 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -84.67 -22.47 29.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.669 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -125.25 58.57 20.48 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.565 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -64.78 112.52 2.02 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.149 1.899 . . . . 0.0 112.283 -176.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.63 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 30.6 tpp -134.8 150.56 50.53 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.886 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.428 ' O ' HG23 ' A' ' 56' ' ' VAL . 4.1 m-20 -135.61 151.42 50.24 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.9 mt -57.12 -35.31 69.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.976 0.353 . . . . 0.0 111.526 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.3 p -59.95 -44.31 94.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.996 0.427 . . . . 0.0 110.704 175.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.63 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 1.9 m -71.43 -35.76 71.07 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.831 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 52' ' ' ASP . 94.5 t -60.28 -46.73 94.44 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-O 121.561 0.696 . . . . 0.0 109.271 176.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.684 ' HG3' HD13 ' A' ' 14' ' ' LEU . 20.0 tttt -65.41 -40.45 93.4 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.993 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -56.2 -53.78 53.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.975 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -70.39 -28.9 65.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.725 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.479 ' HE3' HD12 ' A' ' 14' ' ' LEU . 29.0 ttm -65.5 -40.23 92.8 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 172.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 37.7 mt-10 -66.66 -29.08 69.0 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.906 0.384 . . . . 0.0 111.109 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.41 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -82.12 -3.43 54.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.595 0.712 . . . . 0.0 109.642 175.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.561 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 16.3 mmt85 58.94 35.22 24.03 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 114.498 -1.228 . . . . 0.0 111.767 176.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.4 -16.97 62.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.879 173.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.533 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -87.47 143.37 27.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.191 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.434 ' HB2' ' OE1' ' A' ' 70' ' ' GLU . 30.0 mmt180 -110.35 -26.83 9.36 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.46 177.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -142.81 162.5 35.3 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.007 0.432 . . . . 0.0 109.844 -176.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.53 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -71.0 -15.73 62.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.185 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -71.14 -36.48 72.1 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.493 176.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.434 ' OE1' ' HB2' ' A' ' 66' ' ' ARG . 42.5 mt-10 -66.94 -33.23 75.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.835 175.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.601 ' O ' HG12 ' A' ' 75' ' ' VAL . 9.9 t80 -65.39 -54.18 32.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.839 171.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.15 -38.76 65.85 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.473 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.57 -50.34 68.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.7 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.93 -48.02 33.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.041 -174.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.8 p -65.94 -42.65 92.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -176.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -76.99 -23.01 52.27 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.271 -176.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 77' ' ' LEU . 1.5 mt -60.34 -43.06 96.81 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.079 0.466 . . . . 0.0 109.797 171.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.4 ' SD ' ' HB3' ' A' ' 29' ' ' PHE . 10.4 tmm? -58.74 -48.3 81.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.157 177.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -60.12 -38.38 82.84 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.915 0.388 . . . . 0.0 110.469 175.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.9 m -60.73 -43.0 98.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.621 ' HB3' HD12 ' A' ' 47' ' ' ILE . 80.2 m-20 -60.27 -33.95 73.04 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.986 0.422 . . . . 0.0 110.716 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 58.5 m -63.95 -43.7 95.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.7 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -74.81 -24.24 58.61 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.127 0.489 . . . . 0.0 109.928 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -34.14 66.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.854 -177.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.625 ' HB2' HD11 ' A' ' 47' ' ' ILE . 81.5 t80 -93.06 -59.91 1.93 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.446 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -83.38 136.63 42.79 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.551 -172.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -66.18 154.39 74.32 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.367 2.045 . . . . 0.0 111.063 177.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.25 -19.47 9.36 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 124.138 3.225 . . . . 0.0 114.129 -172.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -108.03 78.96 1.22 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.823 0.344 . . . . 0.0 110.404 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.561 ' O ' HG22 ' A' ' 93' ' ' VAL . 9.0 t-80 -156.64 162.47 39.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.213 174.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.74 -48.58 80.68 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -29.92 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.724 -172.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 90' ' ' HIS . 13.9 m -78.19 -35.91 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.304 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.59 84.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.108 0.48 . . . . 0.0 110.158 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 51.9 mtm -68.93 -37.39 78.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.475 177.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 100' ' ' GLN . . . -68.97 -28.8 66.95 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 120.999 0.428 . . . . 0.0 110.341 177.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 66.3 ttt180 -75.73 -43.44 46.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.895 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -70.63 -44.15 67.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.548 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.58 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -64.45 -28.63 69.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.216 172.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.462 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 6.7 tp-100 -59.08 -48.3 82.09 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 173.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -54.59 -48.57 71.97 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.075 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.625 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 2.0 p -66.11 -55.92 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.134 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -54.73 -38.93 67.73 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 120.581 0.229 . . . . 0.0 111.277 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -68.37 -42.35 79.27 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -176.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -68.94 -35.85 77.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.161 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 23.2 mmt180 -65.5 -44.38 87.23 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.452 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -70.6 -32.42 69.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.048 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.84 -34.69 78.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.874 177.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.7 tptp -77.22 -26.67 52.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.247 0.546 . . . . 0.0 109.943 176.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -71.63 121.17 83.67 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.701 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -90.19 149.79 4.61 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.415 2.077 . . . . 0.0 112.276 174.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.552 -0.737 . . . . 0.0 109.804 178.883 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 19.5 t60 . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -148.94 79.0 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.208 0.527 . . . . 0.0 110.7 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 75.1 mt -135.37 73.45 1.47 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.714 176.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 284' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' B' ' 285' ' ' ARG . 10.6 tp -94.99 -11.07 29.12 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.789 -179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 285' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' B' ' 284' ' ' LEU . 7.2 mpt_? 72.82 157.29 0.18 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.864 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 36.5 pt -121.57 13.51 6.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.237 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 287' ' ' ALY . . . . . 0.456 ' HG2' HD11 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -81.92 53.65 2.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.26 0.552 . . . . 0.0 111.727 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -93.91 55.67 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 171.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 46.8 mt -84.16 65.83 8.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.275 -171.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 291' ' ' GLN . . . . . 0.408 ' O ' ' HG3' ' B' ' 291' ' ' GLN . 9.7 pt20 -105.85 93.68 4.77 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.64 0.733 . . . . 0.0 110.219 176.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.53 -0.748 . . . . 0.0 109.318 179.182 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.813 0 CA-C-O 120.069 -0.295 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 66.73 166.99 0.22 Allowed 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.258 0.623 . . . . 0.0 111.949 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.6 mt -113.89 109.77 19.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.365 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.9 t -71.14 171.97 10.03 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 174.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.62 -44.73 69.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.015 0.436 . . . . 0.0 110.797 -177.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -61.26 -43.23 99.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.537 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.6 mt -73.53 -31.96 63.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.222 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -67.81 -36.23 80.02 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -64.63 -33.42 75.9 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.504 ' SG ' ' HA ' ' A' ' 68' ' ' ALA . 70.3 m -65.01 -43.54 92.14 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.638 177.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.548 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 14.7 t30 -55.1 -41.71 71.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.198 177.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.71 -35.54 66.78 Favored Glycine 0 CA--C 1.517 0.205 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.082 -178.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 98.0 mt -72.26 -51.02 32.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.794 0.331 . . . . 0.0 110.738 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.681 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.5 tt -55.08 -48.77 73.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.372 178.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 8.9 tmtt? -44.82 -57.5 3.7 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 122.712 1.244 . . . . 0.0 110.896 175.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -56.51 -48.84 76.36 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 112.411 -2.177 . . . . 0.0 111.929 -176.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.61 -22.77 66.64 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.984 0.421 . . . . 0.0 109.915 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.422 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 61.5 mt -90.51 -11.38 40.36 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.242 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.7 m -81.55 155.22 25.84 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.401 0.62 . . . . 0.0 111.676 -176.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HA ' ' CB ' ' A' ' 23' ' ' ALA . 67.6 mmtt -58.29 -20.26 41.36 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 114.751 -1.113 . . . . 0.0 113.048 -172.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -57.11 -39.56 75.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.289 0.566 . . . . 0.0 110.737 175.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.46 ' HB3' HD21 ' A' ' 99' ' ' LEU . 97.3 m-70 -107.69 -14.32 14.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.643 -176.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.415 ' CB ' ' HA ' ' A' ' 20' ' ' LYS . . . -48.35 -36.42 14.4 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -175.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.93 -24.17 36.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.042 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -138.4 17.9 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.056 0.455 . . . . 0.0 110.699 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' C ' ' HD2' ' A' ' 28' ' ' PRO . . . -115.26 -11.11 12.0 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.079 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.596 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 67.2 p-90 -56.29 -35.09 31.06 Favored Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -177.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 2.8 Cg_endo -56.31 -20.52 32.57 Favored 'Trans proline' 0 C--N 1.366 1.498 0 C-N-CA 121.583 1.522 . . . . 0.0 113.196 176.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CD1' HD12 ' A' ' 99' ' ' LEU . 1.9 m-85 -112.66 -8.61 13.79 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -171.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.422 ' CE1' ' HA ' ' A' ' 18' ' ' LEU . 9.6 m-30 -59.06 -53.85 53.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.96 0.41 . . . . 0.0 110.046 175.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -132.58 154.39 81.49 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.714 179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.426 ' HD3' ' OD1' ' A' ' 52' ' ' ASP . 18.2 Cg_endo -59.28 156.72 33.84 Favored 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 122.869 2.379 . . . . 0.0 112.23 -178.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.414 HG13 ' H ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER -67.82 149.63 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.267 -177.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -89.76 71.04 7.72 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.33 -39.04 60.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.637 -170.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.8 m -65.68 -44.47 86.14 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.631 0.253 . . . . 0.0 111.044 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.43 -25.36 60.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.376 0.607 . . . . 0.0 110.711 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.1 mt -81.21 -7.02 59.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.055 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.12 8.36 87.43 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.359 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' B' ' 287' ' ' ALY . 14.3 mt -84.2 107.19 16.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.997 0.427 . . . . 0.0 110.75 -177.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -86.01 -15.65 40.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.977 -176.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.506 ' O ' HD13 ' A' ' 46' ' ' ILE . 11.1 m-20 -124.79 35.45 4.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.632 -169.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -74.25 -45.94 44.7 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.672 -175.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -74.39 -20.54 60.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.751 0.31 . . . . 0.0 111.19 -176.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -75.72 -36.17 60.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.884 0.373 . . . . 0.0 110.883 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 42' ' ' ASP . 1.9 mp -84.75 -40.61 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.506 178.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.661 HD11 ' HB2' ' A' ' 85' ' ' TYR . 16.6 mm -95.56 101.89 12.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.914 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 26.8 mmtp -82.53 -29.2 30.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.147 0.499 . . . . 0.0 110.737 177.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.47 ' CG ' HD22 ' A' ' 77' ' ' LEU . 3.0 p80 -119.58 70.98 13.36 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.24 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.65 99.92 1.28 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.718 2.279 . . . . 0.0 112.365 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.521 ' HG2' ' OD1' ' A' ' 74' ' ' ASP . 31.6 tpp -122.55 151.18 41.65 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.71 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.46 ' O ' HG23 ' A' ' 56' ' ' VAL . 4.1 p30 -138.53 155.2 48.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 mt -62.09 -28.28 69.51 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.362 -174.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.7 t -67.77 -41.59 83.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.778 0.323 . . . . 0.0 110.529 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.45 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 16.9 m -74.32 -33.56 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.014 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 52' ' ' ASP . 94.8 t -58.87 -45.38 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.701 . . . . 0.0 109.317 175.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.681 ' HG3' HD13 ' A' ' 14' ' ' LEU . 19.6 tttt -66.75 -40.83 88.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.114 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -55.64 -50.95 68.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.934 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -71.04 -26.98 63.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.72 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 12.7 ttm -69.34 -35.96 76.42 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 173.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 46.5 mt-10 -66.24 -32.28 73.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.403 ' N ' HD22 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -79.96 -1.49 39.74 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 57.97 33.08 22.8 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 114.242 -1.345 . . . . 0.0 111.53 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -24.6 67.89 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.16 177.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.561 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -80.97 136.01 35.95 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.79 -174.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -100.82 -28.56 12.73 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.662 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -144.79 159.8 42.29 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -173.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.504 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . . . -69.42 -15.89 63.38 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.653 -179.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -72.22 -35.07 68.78 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -68.37 -34.28 75.79 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.671 177.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.644 ' O ' HG12 ' A' ' 75' ' ' VAL . 9.1 t80 -64.56 -54.64 28.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.546 172.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.486 ' O ' ' HG2' ' A' ' 76' ' ' ARG . . . -53.9 -41.46 67.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.407 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.44 -44.6 76.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.303 177.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.521 ' OD1' ' HG2' ' A' ' 51' ' ' MET . 5.5 t0 -75.73 -47.69 25.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.991 0.424 . . . . 0.0 111.004 -175.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.5 p -63.92 -41.56 92.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.28 -178.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 2.9 ptp180 -69.58 -29.46 67.02 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.217 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.47 HD22 ' CG ' ' A' ' 49' ' ' HIS . 2.3 mt -61.78 -36.93 82.51 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.265 0.555 . . . . 0.0 110.594 176.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.586 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 12.3 tmm? -61.23 -52.89 62.85 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.744 174.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -59.08 -37.28 76.72 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.102 0.477 . . . . 0.0 110.599 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.0 m -61.42 -49.22 77.74 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.958 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.586 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 10.3 p30 -66.91 -27.19 67.29 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.985 -175.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.441 ' SG ' ' HB ' ' A' ' 92' ' ' VAL . 20.0 t -65.21 -46.22 81.57 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.644 176.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -66.0 -24.6 66.81 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.35 0.595 . . . . 0.0 110.176 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -42.2 60.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.588 -175.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.661 ' HB2' HD11 ' A' ' 47' ' ' ILE . 76.7 t80 -82.48 -53.86 5.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.148 0.499 . . . . 0.0 110.993 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -86.69 132.2 43.16 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.539 -172.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -68.72 158.26 58.52 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.611 2.207 . . . . 0.0 111.272 175.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -50.02 -21.4 6.32 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 124.536 3.49 . . . . 0.0 114.403 -173.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -108.57 74.09 0.9 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.161 0.505 . . . . 0.0 110.632 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.648 ' O ' HG22 ' A' ' 93' ' ' VAL . 2.3 t-80 -154.82 149.85 26.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.735 175.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.08 -45.23 64.71 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -175.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.441 ' HB ' ' SG ' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -65.63 -28.22 43.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -171.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 90' ' ' HIS . 12.5 m -78.56 -34.41 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.11 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.82 -40.46 79.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.065 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 57.3 mtm -68.8 -38.78 80.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.272 176.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.03 79.29 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 120.866 0.365 . . . . 0.0 110.431 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -71.23 -42.52 68.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.047 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -69.77 -43.86 71.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.518 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.562 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -64.27 -29.95 71.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.401 172.454 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.639 ' O ' ' HB2' ' A' ' 104' ' ' GLU . 52.8 tp60 -62.11 -38.25 88.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 174.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.88 -48.19 80.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.602 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.535 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.5 p -63.28 -55.16 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.832 178.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -55.66 -37.58 68.46 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.347 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.639 ' HB2' ' O ' ' A' ' 100' ' ' GLN . 0.7 OUTLIER -57.61 -52.75 64.13 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.883 0.373 . . . . 0.0 110.977 177.177 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -70.08 -34.09 72.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.666 -174.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 34.8 mmt180 -64.36 -46.99 81.03 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 121.177 0.513 . . . . 0.0 110.233 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -69.49 -28.19 65.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.15 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.52 -43.09 81.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.432 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -69.72 -28.66 66.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.262 0.553 . . . . 0.0 109.746 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -64.86 117.79 42.25 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.266 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -91.34 157.12 3.72 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.89 2.393 . . . . 0.0 112.387 174.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.281 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 36.4 m80 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -158.75 116.03 2.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.594 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -77.96 -31.51 50.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.544 -175.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 284' ' ' LEU . . . . . 0.476 ' HG ' ' HG2' ' B' ' 285' ' ' ARG . 30.3 tp -155.9 -88.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.294 -178.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 285' ' ' ARG . . . . . 0.476 ' HG2' ' HG ' ' B' ' 284' ' ' LEU . 0.0 OUTLIER -148.4 141.57 25.03 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.344 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 30.0 pt -126.91 19.2 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -171.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 287' ' ' ALY . . . . . 0.494 ' HG2' HD11 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 288' ' ' GLN . . . . . 0.555 ' O ' ' HB2' ' B' ' 292' ' ' SER . 30.3 tt0 -94.62 19.88 9.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.284 0.564 . . . . 0.0 110.495 -177.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -76.69 63.39 2.13 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.665 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 65.1 tp -143.14 -53.03 0.38 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -141.76 72.3 1.38 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.953 -1.022 . . . . 0.0 109.064 174.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . 0.555 ' HB2' ' O ' ' B' ' 288' ' ' GLN . 4.1 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.242 -0.885 . . . . 0.0 109.306 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.802 0 N-CA-C 111.773 -0.531 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -126.91 163.72 23.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.85 0.357 . . . . 0.0 110.719 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.3 mt -107.32 119.06 38.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.029 174.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.5 t -79.46 177.49 8.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -58.06 -43.7 87.07 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.032 0.444 . . . . 0.0 110.952 -177.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -62.59 -42.41 99.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.339 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.54 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 88.5 mt -74.94 -26.37 59.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.196 -177.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -71.2 -34.67 71.09 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -70.86 -35.33 72.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.963 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.576 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 14.2 p -69.87 -29.7 66.99 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -64.45 -42.5 95.93 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.727 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.1 -41.96 68.91 Favored Glycine 0 C--N 1.329 0.188 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.723 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.433 HG12 ' HB3' ' A' ' 106' ' ' ARG . 96.8 mt -60.7 -50.73 79.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.91 0.386 . . . . 0.0 110.568 178.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.689 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.3 tt -55.79 -47.0 77.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.385 177.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -55.07 -36.39 65.57 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.323 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' CD ' ' HE ' ' A' ' 106' ' ' ARG . 31.7 tt0 -76.5 -42.09 44.69 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.834 -176.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -62.96 -24.06 67.71 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.1 mt -89.58 -13.28 37.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.93 177.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.1 m -70.29 150.51 46.29 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.412 0.625 . . . . 0.0 111.351 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' HA ' ' HB2' ' A' ' 23' ' ' ALA . 27.1 mmtm -64.79 -10.2 26.12 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.104 -175.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -64.11 -37.85 88.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.081 0.467 . . . . 0.0 110.692 174.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.417 ' HB3' HD21 ' A' ' 99' ' ' LEU . 97.6 m-70 -105.05 -14.01 15.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.519 -176.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 20' ' ' LYS . . . -46.27 -37.33 7.14 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -176.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.69 -28.72 23.02 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 123.484 0.49 . . . . 0.0 111.943 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -136.58 20.97 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.986 0.422 . . . . 0.0 110.641 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' C ' ' HD2' ' A' ' 28' ' ' PRO . . . -117.79 -12.98 10.15 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.434 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.606 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.6 p-90 -56.24 -33.98 22.18 Favored Pre-proline 0 CA--C 1.547 0.843 0 N-CA-C 113.61 0.966 . . . . 0.0 113.61 -177.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.2 Cg_endo -54.87 -20.2 21.83 Favored 'Trans proline' 0 C--N 1.37 1.674 0 C-N-CA 121.556 1.504 . . . . 0.0 113.166 176.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CD1' HD12 ' A' ' 99' ' ' LEU . 1.7 m-85 -113.46 -8.84 13.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -172.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -55.6 -55.41 32.37 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-O 120.682 0.277 . . . . 0.0 111.314 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -135.79 159.81 69.87 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.423 -176.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -49.64 143.93 20.83 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.363 2.709 . . . . 0.0 112.704 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.411 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -65.77 147.44 12.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.592 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -88.73 63.62 6.97 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.52 -35.99 32.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.876 -171.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.6 t -63.09 -52.1 64.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.68 0.276 . . . . 0.0 110.743 177.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.98 -18.98 61.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.246 0.546 . . . . 0.0 110.972 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.9 mt -85.46 -10.9 55.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.612 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.86 5.64 87.71 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.173 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.424 HD11 ' HG2' ' B' ' 287' ' ' ALY . 9.1 mt -86.78 92.71 9.05 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 122.633 0.373 . . . . 0.0 110.123 -177.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -85.0 -4.26 59.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.899 0.38 . . . . 0.0 111.176 -175.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -123.07 25.42 8.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.173 -174.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.458 ' CE1' HG13 ' A' ' 47' ' ' ILE . 82.9 t80 -66.96 -41.26 87.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.646 -174.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -81.97 0.55 39.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.026 0.441 . . . . 0.0 111.119 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -91.39 -37.61 13.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.096 0.474 . . . . 0.0 110.357 175.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -85.34 -49.38 15.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.301 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.639 HD11 ' HB2' ' A' ' 85' ' ' TYR . 21.2 mm -79.33 109.93 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.159 -178.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 23.9 mmtp -89.36 -29.31 19.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.021 -178.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -121.94 69.33 27.11 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.88 104.91 1.06 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.218 1.945 . . . . 0.0 111.953 177.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.658 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 31.4 tpp -131.27 147.35 52.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.503 -178.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -133.8 153.27 51.84 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.6 mt -58.35 -36.6 73.7 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.223 0.465 . . . . 0.0 111.423 -178.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.7 p -60.87 -38.84 86.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.64 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.658 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 1.6 m -74.66 -36.24 62.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.665 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.09 -45.8 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.393 0.616 . . . . 0.0 109.353 176.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.689 ' HG3' HD13 ' A' ' 14' ' ' LEU . 19.5 tttt -66.17 -41.35 90.44 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.067 178.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -55.34 -50.83 68.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.728 177.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -70.94 -28.84 64.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.698 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 29.2 ttm -67.9 -38.43 82.97 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 173.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.5 -31.33 72.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.975 0.416 . . . . 0.0 110.678 177.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.405 ' N ' HD22 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -80.76 -6.05 57.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.58 0.705 . . . . 0.0 109.676 177.468 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 59.62 38.34 22.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.2 -1.364 . . . . 0.0 111.482 176.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.74 -21.95 63.41 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.571 173.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.548 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -84.12 141.97 30.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.906 -175.088 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.422 ' HB2' ' OE2' ' A' ' 70' ' ' GLU . 12.8 mtm180 -107.57 -25.53 11.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.11 177.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -147.73 165.22 31.16 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.9 -17.62 62.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.628 -177.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -71.89 -31.37 66.35 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' OE2' ' HB2' ' A' ' 66' ' ' ARG . 70.7 mt-10 -71.73 -33.65 68.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.794 175.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.648 ' O ' HG12 ' A' ' 75' ' ' VAL . 4.6 t80 -64.34 -53.99 39.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.455 171.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.47 -42.28 67.05 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.397 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.07 -44.2 78.7 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.398 177.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -75.66 -46.93 28.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.938 -175.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.6 p -67.22 -38.92 81.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.15 -179.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -68.06 -31.4 71.02 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.48 -30.9 71.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.409 177.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.661 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 12.4 tmm? -63.11 -51.28 67.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.523 174.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -58.85 -36.71 75.02 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.33 0.586 . . . . 0.0 110.475 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m -65.66 -46.62 78.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.146 -177.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.661 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 12.0 p30 -65.81 -28.38 68.96 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.717 -177.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 17.3 t -62.48 -47.83 82.29 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.254 176.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -66.31 -24.05 66.47 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.25 0.548 . . . . 0.0 110.445 177.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.45 ' HB2' ' HA ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -75.18 -29.55 60.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.706 -175.79 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.639 ' HB2' HD11 ' A' ' 47' ' ' ILE . 77.3 t80 -96.95 -57.91 2.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.759 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -80.49 133.83 55.65 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.633 -174.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.84 153.38 78.37 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.222 1.948 . . . . 0.0 110.697 173.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.87 -20.19 21.74 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.863 3.042 . . . . 0.0 113.502 -173.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -96.93 70.57 2.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.032 174.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.587 ' O ' HG22 ' A' ' 93' ' ' VAL . 8.9 t-80 -157.07 156.22 32.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.143 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.35 -45.08 95.88 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -177.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -27.81 42.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -170.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 90' ' ' HIS . 14.1 m -77.03 -35.68 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.029 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.37 -41.02 77.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.422 177.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 66.4 mtm -69.08 -36.98 78.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.308 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.65 -34.7 78.46 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.124 0.488 . . . . 0.0 110.024 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -68.89 -44.93 72.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.104 -177.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -71.05 -43.09 68.52 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.727 -177.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.57 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -63.96 -29.35 70.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.08 172.713 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -64.11 -35.28 80.25 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -60.88 -58.03 10.15 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.006 177.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.677 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.9 p -57.06 -54.18 33.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.327 -177.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -54.4 -39.35 67.19 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.701 0.286 . . . . 0.0 111.424 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -73.94 -40.57 62.97 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 120.57 0.224 . . . . 0.0 110.45 -175.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.483 ' O ' ' HE2' ' A' ' 109' ' ' LYS . 29.9 m-85 -65.51 -33.24 75.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.734 175.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.677 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 36.1 mmt180 -66.39 -45.5 79.79 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.516 178.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -69.48 -32.1 70.79 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.717 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.45 -35.15 79.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.112 177.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.483 ' HE2' ' O ' ' A' ' 105' ' ' PHE . 0.2 OUTLIER -80.29 -24.87 39.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.239 0.543 . . . . 0.0 110.131 177.431 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -72.61 124.74 91.15 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.487 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -86.34 145.11 8.22 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 121.804 1.669 . . . . 0.0 112.433 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 . . . . . 0 C--O 1.244 0.805 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.994 -179.181 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 36.5 m80 . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 120.636 0.255 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -149.31 134.87 18.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.222 0.534 . . . . 0.0 110.738 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 8.8 mp -99.21 91.67 5.09 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 23.9 tp -78.47 61.37 2.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.828 -175.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 22.0 mtm-85 58.49 69.51 0.72 Allowed 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.267 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 24.6 pt -54.98 123.27 5.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.351 0.596 . . . . 0.0 111.132 -176.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 287' ' ' ALY . . . . . 0.424 ' HG2' HD11 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -79.0 61.41 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.439 0.638 . . . . 0.0 111.973 -176.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -100.76 22.25 12.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.552 173.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 43.9 tp -126.71 64.61 1.28 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.121 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -104.5 -2.82 24.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.376 -177.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.248 1.0 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.099 178.434 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.438 ' O ' ' HD2' ' A' ' 63' ' ' ARG . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 112.106 -0.398 . . . . 0.0 112.106 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -64.13 127.66 32.42 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 122.278 0.231 . . . . 0.0 110.865 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.45 ' HG ' ' CZ ' ' A' ' 63' ' ' ARG . 80.2 mt -65.82 105.06 1.19 Allowed 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 176.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.3 m -71.28 174.08 6.92 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.385 177.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -51.83 -41.01 61.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.621 0.248 . . . . 0.0 111.664 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.408 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 1.6 mp0 -63.78 -45.39 89.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.492 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.597 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 82.7 mt -75.99 -27.84 57.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.236 0.541 . . . . 0.0 111.336 -176.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -71.88 -33.4 68.33 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 173.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -71.16 -38.0 72.22 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.915 176.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' A' ' 7' ' ' LEU . 14.2 p -68.74 -30.68 69.36 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.897 0.379 . . . . 0.0 110.023 178.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -62.22 -43.71 98.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.974 175.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.24 -40.5 61.0 Favored Glycine 0 C--N 1.331 0.281 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.782 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.95 -49.35 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.753 0.311 . . . . 0.0 110.565 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.685 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.2 tt -55.52 -49.01 73.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.654 176.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -55.38 -36.09 66.01 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.006 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -73.47 -44.83 57.11 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.602 -177.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 mt -63.75 -22.43 66.91 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.8 mt -91.64 -11.53 36.8 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.956 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.1 m -71.54 149.8 45.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.424 0.631 . . . . 0.0 111.431 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -55.39 -26.55 42.22 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.683 -178.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -53.49 -37.82 63.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.28 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -108.53 -12.83 14.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.53 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.39 -35.33 18.63 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -175.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.6 -28.7 33.8 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.612 0.57 . . . . 0.0 111.96 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -137.11 17.66 2.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.949 0.404 . . . . 0.0 110.969 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.48 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -113.6 -13.11 12.77 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.083 177.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.602 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.1 p-90 -55.92 -34.92 29.05 Favored Pre-proline 0 CA--C 1.545 0.785 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -176.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.6 Cg_endo -52.35 -24.85 22.48 Favored 'Trans proline' 0 C--N 1.368 1.561 0 C-N-CA 121.726 1.617 . . . . 0.0 113.163 177.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.536 ' CD1' HD12 ' A' ' 99' ' ' LEU . 2.1 m-85 -111.03 -8.99 14.41 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -170.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -52.72 -53.06 52.97 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.831 0.348 . . . . 0.0 111.554 177.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -136.54 160.79 65.29 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.809 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -53.85 134.16 57.81 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.741 2.294 . . . . 0.0 111.685 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.423 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -61.18 145.05 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -178.795 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -86.39 68.44 10.22 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.474 ' HB1' ' HB2' ' A' ' 40' ' ' LEU . . . -49.9 -41.07 45.11 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.808 0.693 . . . . 0.0 111.802 -172.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.8 m -63.29 -41.9 99.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.63 0.252 . . . . 0.0 111.496 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.96 -9.8 59.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.383 0.611 . . . . 0.0 110.789 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 mt -99.09 -7.86 26.1 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.8 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.82 4.47 87.23 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.434 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.628 HD11 ' HG2' ' B' ' 287' ' ' ALY . 7.7 mt -87.85 94.85 9.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.018 0.437 . . . . 0.0 110.327 -176.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -85.94 -2.88 58.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.145 0.497 . . . . 0.0 110.539 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -125.37 21.58 7.89 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -172.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -64.06 -42.33 97.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.23 -0.294 . . . . 0.0 111.382 -176.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -81.76 -7.24 59.58 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.663 -176.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.423 ' O ' ' HE2' ' A' ' 48' ' ' LYS . 1.7 m-20 -82.8 -33.8 27.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.156 0.503 . . . . 0.0 110.076 176.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.34 -48.24 14.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.927 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.681 HD12 ' HB3' ' A' ' 81' ' ' ASN . 9.9 mm -83.29 97.7 4.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.946 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' HE2' ' O ' ' A' ' 45' ' ' ASP . 62.4 mmtt -83.65 -25.66 30.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.333 -176.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -120.91 59.55 7.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.599 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.24 116.46 3.89 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.559 2.173 . . . . 0.0 112.366 -176.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.574 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 29.8 tpp -134.0 149.76 51.22 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.298 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.417 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -132.66 146.97 52.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -177.148 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.0 mt -57.03 -34.05 67.81 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.327 0.512 . . . . 0.0 111.399 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.3 p -61.41 -43.09 99.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.835 175.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.574 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 4.4 m -72.35 -34.36 67.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.808 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 52' ' ' ASP . 89.6 t -60.41 -46.81 94.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 121.43 0.633 . . . . 0.0 109.319 175.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.685 ' HG3' HD13 ' A' ' 14' ' ' LEU . 19.3 tttt -64.13 -40.77 96.88 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.718 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -56.78 -51.7 67.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.198 178.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -71.61 -29.29 64.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.484 -177.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 28.4 ttm -65.66 -39.42 91.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.143 172.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -67.67 -28.81 68.01 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.159 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.1 -3.1 47.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.495 0.664 . . . . 0.0 109.627 175.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.45 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 20.5 mmt85 57.78 37.77 27.19 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.261 -1.336 . . . . 0.0 110.964 177.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.08 -16.11 61.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.555 174.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.535 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.8 OUTLIER -90.9 136.62 32.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.479 -175.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.642 ' HB3' ' OE1' ' A' ' 70' ' ' GLU . 61.4 ttt-85 -96.07 -32.07 12.72 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.304 176.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -145.75 166.86 24.65 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.184 0.516 . . . . 0.0 110.443 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.408 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -71.1 -16.32 62.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.609 -177.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -72.87 -28.98 62.82 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.642 ' OE1' ' HB3' ' A' ' 66' ' ' ARG . 50.1 mt-10 -72.52 -32.83 66.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.606 174.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.61 ' O ' HG12 ' A' ' 75' ' ' VAL . 5.1 t80 -66.27 -52.28 49.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.655 170.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.38 -35.8 68.13 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.587 178.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.48 -50.89 68.71 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.602 175.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.15 -52.89 19.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.875 -176.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 71' ' ' PHE . 3.6 p -64.33 -40.92 90.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.776 -174.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -72.68 -28.57 62.78 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.241 -178.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.98 -39.77 95.72 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.097 174.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.7 tmm? -60.31 -47.72 84.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -60.92 -38.65 86.51 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.947 0.404 . . . . 0.0 110.675 175.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 t -60.04 -42.48 94.54 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.255 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.681 ' HB3' HD12 ' A' ' 47' ' ' ILE . 86.4 m-20 -59.01 -40.52 85.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.985 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.487 ' SG ' HH32 ' B' ' 287' ' ' ALY . 50.9 m -60.2 -41.14 92.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.776 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -71.99 -24.62 61.6 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.146 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -67.95 -49.61 60.78 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.195 0.522 . . . . 0.0 110.67 177.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.526 ' HB2' HD11 ' A' ' 47' ' ' ILE . 71.7 t80 -77.09 -48.88 16.59 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.773 -171.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 21.5 m-80 -96.32 141.28 22.89 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.799 -166.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 86' ' ' ASN . 1.3 Cg_endo -72.52 154.4 55.22 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.549 2.166 . . . . 0.0 112.16 176.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -47.29 -24.06 3.56 Favored 'Trans proline' 0 C--N 1.356 0.927 1 C-N-CA 125.358 4.039 . . . . 0.0 116.336 -172.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -86.13 -68.33 0.75 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.693 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.73 ' NE2' ' HB ' ' B' ' 286' ' ' ILE . 0.1 OUTLIER -7.04 128.78 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 125.496 1.518 . . . . 0.0 113.954 168.706 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.4 -32.36 62.6 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -171.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -18.15 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.969 -172.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 90' ' ' HIS . 14.7 m -83.07 -33.68 10.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.701 175.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.17 -41.63 70.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.378 178.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 59.9 mtm -67.93 -35.52 78.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.23 178.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.18 -35.09 77.48 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.229 0.538 . . . . 0.0 110.132 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 31.1 ttm180 -70.81 -42.53 70.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.008 -178.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.471 ' O ' ' HB3' ' A' ' 101' ' ' ASP . 58.5 tttp -73.14 -42.65 62.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.522 -178.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.536 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -65.08 -27.66 68.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.3 172.856 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.416 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 7.3 tp-100 -60.3 -45.34 93.71 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.471 ' HB3' ' O ' ' A' ' 98' ' ' LYS . 14.2 t70 -52.82 -52.69 56.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.387 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.591 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.6 p -65.53 -56.8 13.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.66 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -54.02 -41.37 67.95 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 100' ' ' GLN . 16.6 tp10 -73.68 -31.11 63.27 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 121.155 0.502 . . . . 0.0 109.804 -176.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.404 ' CE2' ' HE2' ' A' ' 109' ' ' LYS . 44.0 t80 -74.7 -34.25 62.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.099 177.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.591 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 18.6 mmm180 -69.82 -42.42 73.68 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.615 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -70.4 -24.58 62.95 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.45 -45.26 76.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 0.0 110.986 177.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.404 ' HE2' ' CE2' ' A' ' 105' ' ' PHE . 55.1 mttm -71.51 -22.76 61.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.091 0.472 . . . . 0.0 110.611 176.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -72.5 120.59 81.41 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.932 174.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -85.34 145.93 9.65 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 C-N-CA 121.726 1.617 . . . . 0.0 112.002 176.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.194 -0.908 . . . . 0.0 109.644 179.599 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 9.8 p80 . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.944 0.402 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 67.04 105.52 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.536 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 93.1 mt -80.43 0.78 31.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.867 -176.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 23.9 tp -85.07 143.85 28.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -80.13 156.98 26.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.313 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 286' ' ' ILE . . . . . 0.73 ' HB ' ' NE2' ' A' ' 90' ' ' HIS . 28.3 pt -106.19 131.12 56.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 174.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 287' ' ' ALY . . . . . 0.628 ' HG2' HD11 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -78.76 65.26 3.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.828 0.823 . . . . 0.0 110.572 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -101.45 23.1 11.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.277 174.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 290' ' ' LEU . . . . . 0.414 HD12 ' N ' ' B' ' 290' ' ' LEU . 5.6 mp -98.61 11.79 37.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.108 175.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -63.9 156.65 27.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.435 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 55.2 m . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.986 178.543 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.971 -0.452 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -95.63 133.08 40.09 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.425 ' HG ' ' CZ ' ' A' ' 63' ' ' ARG . 93.6 mt -69.85 98.6 1.26 Allowed 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.346 -0.541 . . . . 0.0 110.2 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.2 m -74.2 -179.96 4.15 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 175.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -51.77 -43.71 63.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.927 0.394 . . . . 0.0 111.259 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -60.96 -48.6 81.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.791 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.743 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 97.9 mt -79.51 -12.51 59.87 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.465 0.65 . . . . 0.0 111.689 -177.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -86.63 -32.65 20.47 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 173.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -72.31 -35.37 68.62 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.95 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.743 ' SG ' ' HA ' ' A' ' 7' ' ' LEU . 21.2 p -67.4 -38.34 84.5 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -58.16 -41.97 84.93 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.012 174.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.1 -41.2 60.86 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.724 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.89 -50.07 81.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.835 0.35 . . . . 0.0 110.457 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.631 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.2 tt -54.27 -50.11 68.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.817 177.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -56.52 -38.66 72.14 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.911 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' CD ' ' HE ' ' A' ' 106' ' ' ARG . 21.8 tt0 -69.32 -45.65 68.98 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.456 -177.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.3 mt -62.99 -22.98 67.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.121 0.486 . . . . 0.0 109.861 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.6 mt -90.9 -13.03 34.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.873 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.8 m -69.45 146.9 51.61 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.186 0.517 . . . . 0.0 111.281 -178.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 23' ' ' ALA . 27.6 mmtp -60.97 -17.3 50.94 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.071 -176.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -57.87 -38.09 75.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.964 0.411 . . . . 0.0 110.788 172.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -105.76 -14.66 15.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.69 -176.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.402 ' HB2' ' HA ' ' A' ' 20' ' ' LYS . . . -49.87 -33.94 18.61 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -175.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.89 -27.51 30.8 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 123.428 0.455 . . . . 0.0 111.698 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -136.97 19.05 3.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.936 0.398 . . . . 0.0 110.99 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' C ' ' HD2' ' A' ' 28' ' ' PRO . . . -115.85 -13.63 11.34 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.317 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.605 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 69.9 p-90 -55.75 -35.83 38.89 Favored Pre-proline 0 CA--C 1.545 0.769 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -177.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 2.5 Cg_endo -55.35 -19.39 21.88 Favored 'Trans proline' 0 C--N 1.367 1.543 0 C-N-CA 121.692 1.594 . . . . 0.0 113.284 177.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CD1' HD12 ' A' ' 99' ' ' LEU . 2.1 m-85 -113.89 -7.53 13.18 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -172.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -56.91 -56.37 22.52 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.976 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -138.3 158.15 71.3 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.019 -175.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -50.57 137.33 40.96 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.556 2.838 . . . . 0.0 112.714 -177.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.413 ' H ' HG13 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -59.9 148.11 8.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.75 179.731 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -84.49 62.06 7.04 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.46 -44.64 45.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.484 -170.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.6 m -63.15 -39.87 95.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.73 0.3 . . . . 0.0 111.515 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.3 -15.89 55.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.299 0.571 . . . . 0.0 110.892 178.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.7 mt -89.98 -2.73 58.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.744 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.83 6.11 89.63 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.192 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.413 HD11 ' HG2' ' B' ' 287' ' ' ALY . 8.3 mt -89.46 98.62 11.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.891 0.377 . . . . 0.0 110.155 -177.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -86.51 -17.48 34.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.84 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -112.54 27.06 9.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.819 -174.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.43 ' CE1' HG13 ' A' ' 47' ' ' ILE . 84.2 t80 -65.63 -39.98 92.06 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.403 -0.186 . . . . 0.0 111.217 -177.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -82.36 -3.51 55.61 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.931 0.396 . . . . 0.0 111.245 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.6 -40.1 16.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.258 0.551 . . . . 0.0 109.94 175.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.407 HD11 HD13 ' B' ' 284' ' ' LEU . 1.9 mp -84.2 -48.47 16.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.913 178.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.546 HG23 ' HB2' ' A' ' 81' ' ' ASN . 16.8 mm -84.63 100.62 8.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.199 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 26.0 mmtp -88.06 -28.66 21.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -119.76 69.59 12.87 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.91 177.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.7 113.98 3.7 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.371 2.047 . . . . 0.0 111.9 176.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.577 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 29.8 tpp -132.64 147.16 52.33 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.15 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -132.74 149.03 52.33 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -175.269 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.2 mt -59.14 -35.38 73.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 118.169 0.44 . . . . 0.0 111.761 -178.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.5 t -65.6 -30.71 71.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.742 0.306 . . . . 0.0 110.532 177.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.577 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 2.0 m -80.16 -36.45 35.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.994 0.425 . . . . 0.0 110.193 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 52' ' ' ASP . 95.7 t -61.2 -45.47 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.503 0.668 . . . . 0.0 109.23 175.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.631 ' HG3' HD13 ' A' ' 14' ' ' LEU . 27.7 tttt -65.22 -42.26 93.62 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.217 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -54.25 -51.48 64.41 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.627 -1.169 . . . . 0.0 110.521 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -72.33 -25.18 61.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.239 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.429 ' HE1' ' HB2' ' A' ' 71' ' ' PHE . 15.5 tpp -73.31 -35.6 66.12 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 174.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.34 -30.6 71.71 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.239 176.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.406 ' N ' HD22 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -84.7 -1.37 56.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.166 176.799 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.425 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 24.3 mmt85 57.42 35.61 26.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.411 176.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.63 -19.24 64.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.914 176.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.56 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.2 OUTLIER -89.46 140.73 29.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.749 -175.432 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.443 ' O ' ' HD3' ' A' ' 66' ' ' ARG . 4.2 tmt_? -98.24 -31.14 12.23 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.52 165.98 32.56 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -177.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.97 -17.0 63.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.302 -174.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -70.72 -34.61 72.09 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -69.29 -32.74 72.09 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.61 175.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.603 ' O ' HG12 ' A' ' 75' ' ' VAL . 10.1 t80 -64.2 -54.83 27.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.57 172.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.13 -44.55 64.56 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.162 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 77' ' ' LEU . . . -53.57 -44.09 69.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.364 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -75.31 -48.71 21.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.6 p -66.96 -39.67 83.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.456 -177.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -73.0 -25.02 60.83 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.45 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -65.15 -34.7 79.02 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 173.237 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.667 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 12.4 tmm? -62.6 -51.29 67.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.705 176.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -59.12 -36.66 75.57 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.242 0.544 . . . . 0.0 110.529 175.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.7 m -63.82 -47.22 81.69 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.013 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.667 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 14.8 p30 -66.18 -29.88 70.24 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.797 -177.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 13.4 t -60.68 -45.6 93.54 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.386 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -67.28 -24.53 65.79 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.35 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -66.85 -45.52 77.93 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.16 0.505 . . . . 0.0 110.453 177.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.538 ' HB2' HD11 ' A' ' 47' ' ' ILE . 55.6 t80 -81.67 -59.89 2.45 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.266 -172.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -83.92 129.65 58.17 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.234 -172.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -64.26 159.21 44.54 Favored 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 122.674 2.249 . . . . 0.0 111.83 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -48.68 -26.33 9.24 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 124.519 3.479 . . . . 0.0 114.913 -169.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -112.2 88.99 2.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.122 0.486 . . . . 0.0 109.966 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.627 ' O ' HG22 ' A' ' 93' ' ' VAL . 17.9 t-80 -160.3 149.62 17.49 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -52.32 -43.93 64.83 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -175.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.417 HG23 ' H ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -68.25 -26.92 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -172.664 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 90' ' ' HIS . 12.3 m -81.36 -36.22 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.341 -0.543 . . . . 0.0 109.887 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.08 97.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.151 0.501 . . . . 0.0 110.061 176.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 53.0 mtm -69.64 -33.96 73.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.22 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 100' ' ' GLN . . . -69.77 -31.95 70.18 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 120.596 0.236 . . . . 0.0 110.489 177.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 34.5 mtm180 -74.14 -43.27 58.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.852 0.358 . . . . 0.0 111.125 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -68.96 -47.53 65.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.931 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.573 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -62.4 -26.34 68.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.688 0.28 . . . . 0.0 111.169 172.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 6.2 tp-100 -63.73 -41.27 98.08 Favored 'General case' 0 C--O 1.221 -0.424 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 173.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.521 ' O ' ' HD1' ' A' ' 105' ' ' PHE . 14.5 t70 -57.22 -49.77 74.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.562 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.9 p -63.14 -58.41 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.213 178.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -56.34 -42.0 77.03 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.421 ' HB3' ' O ' ' A' ' 100' ' ' GLN . 12.2 tp10 -67.77 -44.85 76.48 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 120.967 0.413 . . . . 0.0 110.233 -174.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.521 ' HD1' ' O ' ' A' ' 101' ' ' ASP . 59.9 m-85 -74.99 -23.38 58.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.123 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 27.8 mmt180 -67.88 -48.6 65.59 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 174.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.433 ' O ' ' HB3' ' A' ' 110' ' ' MET . 46.2 t80 -67.5 -29.81 69.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.063 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.49 -38.44 80.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.427 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -87.52 -5.79 58.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.237 0.541 . . . . 0.0 110.358 177.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.433 ' HB3' ' O ' ' A' ' 107' ' ' TYR . 1.9 tmt? -73.84 121.57 85.49 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.841 173.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -84.79 152.69 11.47 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.267 1.978 . . . . 0.0 113.059 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 . . . . . 0 C--O 1.246 0.89 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.739 176.907 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 41.8 m80 . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -83.44 69.05 9.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.283 0.563 . . . . 0.0 110.419 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 62.0 tp -77.71 87.91 3.97 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.404 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 284' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' B' ' 285' ' ' ARG . 74.2 mt 59.99 43.44 14.6 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 285' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' B' ' 284' ' ' LEU . 9.4 mpt_? 71.23 151.19 0.1 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.292 -174.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 286' ' ' ILE . . . . . 0.627 HD13 ' H ' ' B' ' 286' ' ' ILE . 0.2 OUTLIER -121.47 8.1 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.627 -174.099 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 287' ' ' ALY . . . . . 0.413 ' HG2' HD11 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -83.27 52.48 2.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.245 0.545 . . . . 0.0 111.214 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -103.77 46.49 0.92 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.074 175.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 62.0 mt -85.55 51.73 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.052 -178.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 70.29 -53.96 0.63 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.81 -175.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 64.2 m . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.625 177.052 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 112.171 -0.372 . . . . 0.0 112.171 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -94.65 37.87 1.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.64 0.257 . . . . 0.0 110.406 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt 65.91 96.73 0.05 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.176 -177.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.4 m -68.38 178.77 1.84 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.406 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -50.18 -49.61 51.83 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.434 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 1.4 mp0 -63.59 -44.82 92.93 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.704 -0.226 . . . . 0.0 110.842 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.507 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 86.1 mt -77.27 -21.77 53.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.172 0.51 . . . . 0.0 111.461 -177.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -76.0 -36.24 59.26 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 173.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -68.63 -34.2 75.33 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.87 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.602 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 14.1 p -70.37 -30.17 67.02 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.002 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -67.92 -40.13 83.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.973 176.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.37 -40.66 79.93 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.63 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.17 -48.12 89.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.91 0.386 . . . . 0.0 110.483 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.671 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.1 tt -57.78 -45.72 85.6 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.723 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -56.17 -37.43 69.56 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.831 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -71.08 -47.38 58.57 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.631 -176.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.18 -22.96 65.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.568 177.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.7 mt -91.41 -13.99 31.41 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.037 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.1 m -71.89 154.91 40.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.489 0.661 . . . . 0.0 111.588 -178.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -62.63 -19.25 63.6 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.917 -174.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -61.67 -30.14 70.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.105 0.479 . . . . 0.0 111.089 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -112.46 -12.58 13.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.977 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.29 -36.09 13.49 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -174.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.58 -30.79 55.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.17 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -133.61 18.77 3.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.146 0.498 . . . . 0.0 110.605 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.432 ' C ' ' HD2' ' A' ' 28' ' ' PRO . . . -115.47 -12.92 11.62 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.262 178.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.604 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.4 p-90 -55.08 -35.93 39.46 Favored Pre-proline 0 CA--C 1.544 0.737 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -178.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 3.0 Cg_endo -56.08 -20.24 29.81 Favored 'Trans proline' 0 C--N 1.366 1.463 0 C-N-CA 121.522 1.481 . . . . 0.0 113.374 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.577 ' CD1' HD12 ' A' ' 99' ' ' LEU . 3.1 m-85 -112.52 -9.81 13.76 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -172.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -55.17 -51.94 64.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.617 0.246 . . . . 0.0 111.366 178.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -136.33 159.33 71.15 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -176.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.05 142.42 76.99 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 123.02 2.48 . . . . 0.0 112.284 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.474 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.8 OUTLIER -63.1 145.92 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.126 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -91.97 67.03 5.12 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' ' 40' ' ' LEU . . . -50.17 -46.79 54.46 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 114.516 -1.22 . . . . 0.0 112.877 -169.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.6 t -61.31 -41.86 97.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.613 0.244 . . . . 0.0 110.903 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.63 -26.77 61.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.327 0.584 . . . . 0.0 110.148 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.3 mt -80.95 -7.08 59.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.934 177.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.29 9.81 86.62 Favored Glycine 0 CA--C 1.52 0.38 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.247 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.506 HD11 ' HG2' ' B' ' 287' ' ' ALY . 9.8 mt -87.07 88.84 7.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.093 0.473 . . . . 0.0 110.18 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -85.26 6.8 24.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.665 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -124.98 21.75 8.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.822 0.344 . . . . 0.0 111.492 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -72.42 -42.12 65.46 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.228 -0.295 . . . . 0.0 111.529 -172.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -79.16 -10.31 59.79 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.337 -177.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -85.09 -44.52 12.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.777 0.323 . . . . 0.0 110.631 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.1 mp -76.4 -46.34 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.379 0.609 . . . . 0.0 110.011 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.709 HD12 ' HB2' ' A' ' 81' ' ' ASN . 39.3 mm -92.25 95.38 5.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.671 -178.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -80.84 -27.2 36.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.519 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -116.75 69.49 4.54 Favored Pre-proline 0 C--O 1.239 0.545 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.539 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -77.43 119.29 4.86 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.583 2.189 . . . . 0.0 112.018 174.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.532 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 28.7 tpp -134.93 150.22 50.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.27 176.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -134.84 149.06 50.29 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 -177.108 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.4 mt -57.03 -37.98 72.52 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.517 0.599 . . . . 0.0 111.928 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.4 p -59.69 -42.15 92.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.799 0.333 . . . . 0.0 110.469 177.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.532 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 2.2 m -72.52 -34.78 67.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.819 -178.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 52' ' ' ASP . 91.0 t -60.7 -47.37 93.34 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.365 0.602 . . . . 0.0 109.419 175.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.671 ' HG3' HD13 ' A' ' 14' ' ' LEU . 10.7 tttm -65.09 -40.84 95.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.933 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -55.41 -51.06 68.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.911 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -71.2 -30.83 66.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.966 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 29.3 ttm -66.13 -38.77 88.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.833 0.349 . . . . 0.0 110.215 173.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -66.28 -28.12 68.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.213 0.53 . . . . 0.0 110.731 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.413 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -84.66 -0.38 53.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.919 175.56 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 56.57 35.37 25.96 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.455 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.33 -12.54 60.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.818 176.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.507 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 1.0 OUTLIER -90.81 140.83 29.43 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.961 -177.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -94.92 -36.08 11.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -148.51 168.39 22.84 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 120.966 0.413 . . . . 0.0 110.177 -177.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 6' ' ' GLN . . . -67.19 -19.06 65.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.901 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -65.61 -41.0 93.25 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -67.89 -30.42 69.76 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.219 178.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.638 ' O ' HG12 ' A' ' 75' ' ' VAL . 4.2 t80 -66.37 -52.76 43.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.615 171.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 76' ' ' ARG . . . -54.06 -40.56 67.26 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.339 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.84 82.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.276 176.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.2 -46.31 51.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.795 -177.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.638 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.4 p -66.23 -41.07 88.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.705 0.288 . . . . 0.0 111.229 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 6.3 ptp180 -69.07 -28.39 66.47 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.072 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 mt -64.12 -36.29 83.54 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.152 0.501 . . . . 0.0 110.613 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.614 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 12.0 tmm? -61.86 -51.17 69.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.562 175.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -59.7 -38.58 81.96 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.084 0.469 . . . . 0.0 110.565 176.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.1 m -61.25 -50.47 72.92 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.908 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.709 ' HB2' HD12 ' A' ' 47' ' ' ILE . 10.8 p30 -67.22 -26.94 66.85 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.089 -174.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.448 ' SG ' ' HB ' ' A' ' 92' ' ' VAL . 27.8 t -63.84 -43.7 95.4 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.09 175.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -66.92 -24.36 66.08 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.746 0.307 . . . . 0.0 110.972 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -75.93 -47.69 24.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.188 -178.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.665 ' HB2' HD11 ' A' ' 47' ' ' ILE . 65.9 t80 -74.14 -56.15 5.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.104 0.478 . . . . 0.0 111.437 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -80.37 127.04 77.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.003 -171.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -64.66 159.28 45.89 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.535 2.156 . . . . 0.0 111.984 177.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -37.92 -46.28 2.02 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 124.808 3.672 . . . . 0.0 114.675 -175.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -95.44 84.63 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.323 0.583 . . . . 0.0 110.536 -178.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.593 ' O ' HG22 ' A' ' 93' ' ' VAL . 2.7 t-80 -156.51 154.93 31.12 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.307 176.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.95 -33.2 71.8 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -175.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.448 ' HB ' ' SG ' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -72.89 -24.64 21.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.694 -173.442 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 90' ' ' HIS . 19.1 m -75.68 -34.32 28.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.269 -0.572 . . . . 0.0 109.709 176.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.88 -43.39 65.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.879 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 60.9 mtm -65.47 -34.16 77.62 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 100' ' ' GLN . . . -68.81 -28.78 67.06 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.392 176.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 73.9 mtp180 -73.21 -47.29 44.77 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.907 0.384 . . . . 0.0 111.336 179.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 101' ' ' ASP . 59.3 tttp -67.11 -42.97 83.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.017 0.437 . . . . 0.0 111.001 -177.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.577 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -67.34 -26.3 66.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.114 174.249 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.606 ' O ' ' HB2' ' A' ' 104' ' ' GLU . 6.4 tp-100 -65.83 -33.25 75.42 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 174.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 98' ' ' LYS . 8.2 t70 -63.97 -53.91 42.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.068 178.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.45 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.5 p -60.72 -54.31 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.238 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -56.56 -37.12 70.12 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.61 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.606 ' HB2' ' O ' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -57.05 -58.44 8.17 Favored 'General case' 0 N--CA 1.456 -0.135 0 O-C-N 122.394 -0.191 . . . . 0.0 111.314 176.278 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -64.2 -29.69 70.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.606 -177.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 39.1 mmt180 -68.36 -46.36 70.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.73 0.3 . . . . 0.0 110.527 178.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -72.9 -27.4 61.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.342 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.09 74.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 0.0 111.031 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.37 -30.31 67.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.383 0.611 . . . . 0.0 109.777 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -66.53 123.82 86.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.031 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -86.54 143.48 7.4 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.186 1.924 . . . . 0.0 112.002 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.476 -175.076 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 53.9 m80 . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 17.6 m120 64.57 82.83 0.18 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.604 0.565 . . . . 0.0 110.77 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 283' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' B' ' 283' ' ' LEU . 2.6 pt? -69.67 99.79 1.38 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.713 0.768 . . . . 0.0 110.063 177.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 63.8 mt -73.54 144.53 46.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.129 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 285' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' B' ' 285' ' ' ARG . 8.3 mpt_? -68.7 107.19 2.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.388 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 286' ' ' ILE . . . . . 0.717 HD13 ' H ' ' B' ' 286' ' ' ILE . 0.2 OUTLIER -50.99 118.88 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.242 0.544 . . . . 0.0 111.787 -179.013 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 287' ' ' ALY . . . . . 0.506 ' HG2' HD11 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 288' ' ' GLN . . . . . 0.439 ' O ' ' HD1' ' B' ' 289' ' ' PHE . 61.2 tt0 -76.77 85.85 3.38 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 175.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 289' ' ' PHE . . . . . 0.439 ' HD1' ' O ' ' B' ' 288' ' ' GLN . 0.2 OUTLIER -148.86 97.84 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.783 -168.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 290' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' B' ' 291' ' ' GLN . 1.6 pt? -142.58 -52.22 0.39 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.487 175.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 291' ' ' GLN . . . . . 0.45 ' N ' ' HG ' ' B' ' 290' ' ' LEU . 12.0 mm-40 -143.86 137.06 27.66 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 177.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.405 -0.807 . . . . 0.0 109.65 -176.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 112.162 -0.375 . . . . 0.0 112.162 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -91.78 151.88 20.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.956 0.408 . . . . 0.0 111.361 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.4 mt -80.61 103.52 10.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.232 176.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.0 m -72.46 178.22 4.15 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 175.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -50.85 -45.15 59.69 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -175.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.524 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 1.6 mp0 -62.35 -45.49 92.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.602 -179.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.57 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 95.3 mt -78.76 -22.79 45.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.201 0.524 . . . . 0.0 111.36 -176.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -75.99 -35.16 59.7 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 173.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -70.52 -35.7 73.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.853 176.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' A' ' 7' ' ' LEU . 14.2 p -68.84 -29.35 67.66 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -65.73 -42.35 91.11 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.833 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.93 -41.72 71.4 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 115.527 -0.761 . . . . 0.0 112.509 -177.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.79 -52.14 65.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.387 . . . . 0.0 110.468 177.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.699 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.4 tt -55.26 -48.42 74.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.553 177.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -55.14 -40.03 70.1 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.988 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.431 ' CD ' ' HE ' ' A' ' 106' ' ' ARG . 28.5 tt0 -69.95 -44.56 69.3 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.69 -176.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.68 -22.76 67.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.673 176.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.1 mt -91.83 -8.93 45.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.821 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.0 m -75.53 148.83 38.62 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.301 0.572 . . . . 0.0 110.944 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -59.4 -19.58 48.27 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.314 -175.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -56.68 -37.27 70.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 174.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -107.98 -13.89 14.87 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.735 -177.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.89 -35.9 15.85 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -175.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.53 -22.69 13.77 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.186 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -141.78 19.56 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.005 0.431 . . . . 0.0 110.641 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.45 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -114.94 -13.01 11.95 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.092 178.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.59 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 68.9 p-90 -56.61 -34.2 24.16 Favored Pre-proline 0 CA--C 1.548 0.879 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -176.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.4 Cg_endo -53.83 -24.2 30.08 Favored 'Trans proline' 0 C--N 1.37 1.681 0 C-N-CA 121.479 1.453 . . . . 0.0 113.051 176.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.539 ' CD1' HD12 ' A' ' 99' ' ' LEU . 1.6 m-85 -110.2 -7.27 14.89 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -171.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -57.99 -57.4 12.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.761 0.315 . . . . 0.0 110.632 175.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -129.15 156.45 78.23 Favored Pre-proline 0 N--CA 1.449 -0.492 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.719 -175.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.34 136.54 69.34 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.036 2.49 . . . . 0.0 112.229 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.57 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -58.69 144.64 11.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.754 178.342 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.412 ' O ' HD12 ' A' ' 38' ' ' LEU . 8.2 m-20 -84.13 64.89 8.47 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -178.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.47 -44.17 35.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.85 -1.068 . . . . 0.0 112.677 -169.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.9 t -62.6 -38.05 88.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.071 0.462 . . . . 0.0 110.551 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.01 -30.07 62.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.816 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.573 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -91.85 9.89 30.92 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 119.868 -0.733 . . . . 0.0 111.0 178.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.05 15.89 81.07 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.569 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.573 ' HG ' ' HB2' ' A' ' 38' ' ' LEU . 9.6 mt -91.72 86.94 6.11 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.286 0.565 . . . . 0.0 110.37 -178.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -85.46 -4.31 59.12 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.424 -176.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' O ' HD13 ' A' ' 46' ' ' ILE . 4.1 m-20 -112.34 14.17 20.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.285 -173.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -65.2 -40.94 94.87 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -169.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -85.12 -5.55 59.33 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.515 -176.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -90.43 -25.91 20.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.896 0.379 . . . . 0.0 110.761 177.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.406 HD13 ' O ' ' A' ' 42' ' ' ASP . 1.9 mp -94.26 -45.26 13.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.118 0.485 . . . . 0.0 109.713 176.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.613 HG23 ' HB2' ' A' ' 81' ' ' ASN . 21.9 mm -85.08 105.76 14.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.185 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 61.8 mmtt -89.48 -27.63 20.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.011 0.434 . . . . 0.0 111.422 -178.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -121.19 70.91 21.98 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.685 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.0 108.12 1.66 Allowed 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.234 1.956 . . . . 0.0 111.493 175.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.687 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 30.6 tpp -133.24 148.01 51.98 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.129 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -135.75 153.56 51.52 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.3 mt -57.08 -39.82 75.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.204 0.456 . . . . 0.0 111.979 -175.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.0 m -62.04 -32.12 72.59 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.666 0.27 . . . . 0.0 111.089 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.687 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 2.1 m -78.13 -36.55 47.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.748 0.309 . . . . 0.0 110.559 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.0 t -59.2 -45.88 92.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.699 ' HG3' HD13 ' A' ' 14' ' ' LEU . 19.6 tttt -65.59 -41.25 93.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.155 179.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -54.45 -52.02 63.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.883 177.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -70.39 -28.16 64.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.623 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 28.7 ttm -69.64 -36.07 75.77 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 174.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 43.5 mt-10 -65.86 -32.71 74.39 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.73 177.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.54 -1.86 47.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.467 177.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 57.44 37.19 27.75 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 114.483 -1.235 . . . . 0.0 111.391 175.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.44 -20.27 62.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.839 175.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.51 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -82.71 145.05 29.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.051 -175.163 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.578 ' NE ' ' HA ' ' A' ' 66' ' ' ARG . 3.9 mmp_? -106.88 -29.66 9.35 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.954 176.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -148.85 166.34 28.8 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.524 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -71.18 -17.24 62.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.198 -178.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -67.44 -38.83 85.12 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -67.63 -35.29 78.64 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.912 177.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.661 ' O ' HG12 ' A' ' 75' ' ' VAL . 4.7 t80 -63.65 -53.79 45.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.463 172.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 76' ' ' ARG . . . -52.44 -43.52 64.94 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.462 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.89 -44.99 74.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.488 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -77.46 -44.08 30.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -174.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.4 p -68.0 -40.95 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.605 0.24 . . . . 0.0 111.347 -179.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 72' ' ' ALA . 8.8 ptp180 -67.82 -30.53 69.97 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.12 -33.48 75.87 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 176.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.654 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 10.1 tmm? -62.72 -52.12 64.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.71 175.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -59.44 -36.98 76.96 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.237 0.541 . . . . 0.0 110.426 176.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.6 m -63.7 -44.41 93.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.914 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.654 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 12.0 p30 -66.81 -30.66 70.92 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.246 -0.581 . . . . 0.0 110.663 -177.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 14.4 t -61.61 -43.44 98.86 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.319 176.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -67.65 -25.5 65.75 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.257 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -67.05 -47.6 70.86 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.3 0.572 . . . . 0.0 110.409 178.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.535 ' HB2' HD11 ' A' ' 47' ' ' ILE . 68.3 t80 -77.72 -59.83 2.62 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.566 -171.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -84.05 130.49 54.57 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.468 -172.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -58.08 154.49 39.15 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.435 2.09 . . . . 0.0 111.772 176.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -46.95 -26.49 4.89 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 124.688 3.592 . . . . 0.0 115.025 -170.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -113.82 82.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.148 0.499 . . . . 0.0 110.316 176.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.714 ' O ' HG22 ' A' ' 93' ' ' VAL . 38.6 t-80 -150.04 147.62 28.04 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 175.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.78 -45.07 19.62 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -174.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -28.13 41.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -173.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 90' ' ' HIS . 11.2 m -79.56 -34.2 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.133 -179.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.86 -41.31 78.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.044 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 51.1 mtm -67.43 -35.61 79.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.436 177.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.82 -33.91 74.63 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.094 0.474 . . . . 0.0 110.583 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.511 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 59.2 ttt180 -76.41 -40.55 50.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.056 -176.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -66.15 -45.13 82.07 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.391 0.615 . . . . 0.0 110.411 178.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.539 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -64.11 -24.5 67.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.186 174.321 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.511 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 44.1 tt0 -64.11 -44.86 90.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 172.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.96 -45.37 71.31 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.57 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.633 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.7 p -70.52 -58.7 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.311 178.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.404 ' H ' HG13 ' A' ' 102' ' ' VAL . 4.6 t80 -53.01 -40.13 63.64 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -71.66 -43.17 66.55 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -176.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -64.66 -34.04 77.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.435 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 24.9 mmt180 -66.73 -46.13 76.43 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.392 178.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -69.74 -30.36 67.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.203 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.4 -38.36 84.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 176.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -75.12 -28.59 60.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.061 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -64.95 120.71 69.02 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.105 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -91.09 163.67 3.81 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 122.927 2.418 . . . . 0.0 112.413 175.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.838 176.191 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 84.7 t60 . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.646 0.26 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -106.27 104.72 14.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.878 0.37 . . . . 0.0 110.049 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 28.9 tp -107.31 44.17 1.1 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.727 0.775 . . . . 0.0 109.675 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 53.0 tp -113.05 135.98 53.19 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.73 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -56.3 127.69 32.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.069 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 16.4 pt -93.51 132.09 38.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.413 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 287' ' ' ALY . . . . . 0.57 ' NZ ' HG11 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 288' ' ' GLN . . . . . 0.434 ' HB2' HD23 ' A' ' 38' ' ' LEU . 50.5 mt-30 -73.94 67.99 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.064 0.459 . . . . 0.0 111.143 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -120.5 93.24 3.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.83 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 88.8 mt -123.6 103.2 8.28 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.01 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -74.28 103.01 4.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.984 0.421 . . . . 0.0 111.062 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 15.6 t . . . . . 0 C--O 1.246 0.902 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.164 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.891 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.494 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 72.7 mmtt -86.57 40.15 0.87 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.506 -0.408 . . . . 0.0 111.255 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.8 mt 65.38 100.8 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.562 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.4 m -73.79 177.77 5.28 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.442 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -49.44 -50.68 39.82 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.855 0.36 . . . . 0.0 111.952 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 1.3 mp0 -62.27 -41.8 98.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.767 -178.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.545 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 93.7 mt -77.79 -22.82 49.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.133 0.492 . . . . 0.0 111.305 -177.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -73.55 -35.67 65.55 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.73 -31.44 64.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.366 178.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.668 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 13.9 p -71.01 -28.12 64.18 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.06 -38.69 69.41 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.742 176.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.31 -48.3 46.39 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.971 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 106' ' ' ARG . 8.8 mt -61.74 -43.16 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 120.756 0.313 . . . . 0.0 111.268 178.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.697 HD13 ' HG3' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -58.28 -47.59 83.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.126 0.488 . . . . 0.0 109.966 176.158 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -54.3 -37.23 64.56 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.072 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -70.98 -47.43 58.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.533 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.41 HD22 HD13 ' A' ' 99' ' ' LEU . 17.9 mt -62.76 -25.47 68.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.268 0.556 . . . . 0.0 109.979 177.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.408 ' CD1' ' HD2' ' A' ' 57' ' ' LYS . 61.8 mt -90.06 -11.01 42.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.766 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.9 m -66.89 143.7 56.7 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.311 0.577 . . . . 0.0 110.821 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 23' ' ' ALA . 36.7 tptt -60.33 -23.61 64.36 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.894 -175.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -54.64 -38.23 66.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.132 174.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -104.15 -14.08 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.259 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -49.21 -34.51 14.93 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -175.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.42 -28.5 30.11 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.491 0.494 . . . . 0.0 111.904 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -135.34 18.87 3.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.106 0.479 . . . . 0.0 110.56 178.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.487 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -116.94 -15.5 10.62 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.452 178.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.61 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.1 p-90 -55.99 -35.62 36.79 Favored Pre-proline 0 CA--C 1.546 0.791 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -176.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 5.9 Cg_endo -56.17 -20.68 32.22 Favored 'Trans proline' 0 C--N 1.366 1.456 0 C-N-CA 121.685 1.59 . . . . 0.0 113.236 177.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CD1' HD12 ' A' ' 99' ' ' LEU . 5.2 m-85 -110.1 -9.1 14.73 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -172.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -54.89 -49.85 70.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.123 174.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -138.42 156.32 73.47 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.109 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.466 ' HD3' ' OD1' ' A' ' 52' ' ' ASP . 22.3 Cg_endo -60.29 152.74 64.51 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.053 2.502 . . . . 0.0 112.093 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.504 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 1.0 OUTLIER -65.97 149.34 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.021 -174.204 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -84.09 67.46 9.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.025 -177.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.511 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -54.38 -35.69 63.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.209 -174.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.8 m -63.44 -40.4 97.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.027 0.441 . . . . 0.0 110.601 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.92 -27.66 30.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.268 0.556 . . . . 0.0 110.748 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.476 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 36.5 mt -81.76 -9.06 59.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.361 -177.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.09 5.96 89.26 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.059 -0.591 . . . . 0.0 111.896 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.511 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 10.9 mt -86.15 77.16 9.64 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.096 0.474 . . . . 0.0 110.363 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -67.91 -17.57 64.51 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.981 -173.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.41 26.64 10.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.397 -173.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -64.83 -39.41 93.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.407 -176.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -78.71 -10.99 59.96 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.539 -178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -84.79 -33.01 23.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.019 0.438 . . . . 0.0 110.773 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 mp -88.35 -44.55 15.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 176.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.568 HG23 ' HB2' ' A' ' 81' ' ' ASN . 22.9 mm -86.59 103.1 12.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.239 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -86.25 -28.1 24.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -123.01 69.39 37.79 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.267 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.2 107.58 1.78 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.418 2.079 . . . . 0.0 111.844 176.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.486 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 30.0 tpp -130.58 150.63 51.7 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.684 -179.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.466 ' OD1' ' HD3' ' A' ' 32' ' ' PRO . 4.5 p-10 -137.76 156.8 47.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.118 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.2 mt -64.01 -26.22 68.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.37 -173.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.2 t -71.06 -40.81 71.41 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.486 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 23.7 m -73.22 -34.36 65.88 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.234 177.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 52' ' ' ASP . 95.8 t -58.48 -47.41 88.32 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.697 ' HG3' HD13 ' A' ' 14' ' ' LEU . 17.8 tttt -65.92 -39.28 90.41 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.218 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -55.8 -53.13 60.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.04 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' CB ' ' HE2' ' A' ' 65' ' ' TYR . 6.3 mtpm? -68.71 -25.86 64.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.101 0.477 . . . . 0.0 110.272 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 27.6 ttm -71.39 -37.64 71.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.409 173.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.58 -29.08 69.06 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.019 0.438 . . . . 0.0 110.665 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.485 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -81.55 -3.26 52.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.521 0.677 . . . . 0.0 109.187 177.016 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.494 ' NH1' ' HA ' ' A' ' 2' ' ' LYS . 21.1 mmt85 57.2 33.86 23.95 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.517 175.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -75.75 -18.19 59.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.531 176.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.504 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.8 OUTLIER -78.2 140.25 38.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.767 178.794 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -102.03 -34.28 9.39 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.32 176.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -138.25 160.16 40.17 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -172.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 6' ' ' GLN . . . -71.21 -16.78 62.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.234 0.54 . . . . 0.0 109.767 178.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -69.62 -38.76 77.37 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.227 176.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -65.8 -33.49 75.98 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.779 176.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.668 ' CG ' ' HB2' ' A' ' 10' ' ' CYS . 4.0 t80 -65.11 -53.29 47.53 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.705 172.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.436 ' HA ' ' CG1' ' A' ' 75' ' ' VAL . . . -54.41 -39.4 67.26 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.074 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.406 ' HA ' ' NE ' ' A' ' 76' ' ' ARG . . . -56.56 -45.07 81.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.269 176.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.29 -50.18 29.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.865 0.364 . . . . 0.0 111.277 -177.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.6 p -64.85 -41.04 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.664 -177.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' A' ' 73' ' ' ALA . 22.9 ptt180 -70.02 -29.1 66.07 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.174 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.51 -30.74 71.54 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.963 0.411 . . . . 0.0 110.08 175.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.649 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 11.4 tmm? -64.95 -48.72 73.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.341 174.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -61.82 -36.34 80.86 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.12 0.486 . . . . 0.0 110.793 175.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.2 m -64.89 -46.77 80.36 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.738 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.649 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 11.4 p30 -66.26 -30.81 71.31 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.697 -177.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 4.3 t -58.23 -50.01 75.07 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.785 174.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -65.63 -24.07 66.96 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.972 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 81' ' ' ASN . 2.7 mmmt -62.59 -53.69 50.87 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.396 0.617 . . . . 0.0 110.594 175.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.615 ' HD2' ' ND2' ' A' ' 86' ' ' ASN . 61.9 t80 -79.21 -44.14 22.43 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.419 -170.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.615 ' ND2' ' HD2' ' A' ' 85' ' ' TYR . 3.9 m120 -92.5 127.43 48.5 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.617 -170.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -65.35 157.36 58.3 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.416 2.077 . . . . 0.0 111.2 174.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -50.86 -21.99 9.29 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 124.483 3.455 . . . . 0.0 114.428 -170.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -111.43 83.92 1.86 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.636 0.255 . . . . 0.0 110.738 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.616 ' O ' HG22 ' A' ' 93' ' ' VAL . 2.9 t-80 -160.64 159.52 30.49 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 174.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.592 ' OD2' HG22 ' A' ' 92' ' ' VAL . 2.1 p30 -51.77 -52.01 52.05 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.592 HG22 ' OD2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -66.92 -21.62 28.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -169.519 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.616 HG22 ' O ' ' A' ' 90' ' ' HIS . 17.4 m -80.09 -34.26 14.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 119.896 -0.722 . . . . 0.0 109.406 175.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.85 -42.8 73.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.374 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.47 ' SD ' ' HG3' ' A' ' 28' ' ' PRO . 64.0 mtm -68.06 -35.54 78.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.245 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.57 -32.87 73.92 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 120.667 0.27 . . . . 0.0 110.573 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.606 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 19.6 mtm180 -70.69 -48.06 56.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.731 0.301 . . . . 0.0 110.825 178.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -66.31 -44.46 83.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.078 0.466 . . . . 0.0 111.011 -176.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.57 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -66.27 -24.7 66.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.242 174.837 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.478 ' O ' ' HB3' ' A' ' 104' ' ' GLU . 4.6 tp-100 -64.66 -43.86 92.26 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -56.47 -50.87 70.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.421 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 99' ' ' LEU . 1.5 p -62.74 -54.15 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.448 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -55.21 -39.14 69.3 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.576 0.226 . . . . 0.0 111.311 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.478 ' HB3' ' O ' ' A' ' 100' ' ' GLN . 6.2 tt0 -75.97 -37.33 58.68 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 120.621 0.248 . . . . 0.0 110.711 -176.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -70.23 -36.98 74.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.172 0.511 . . . . 0.0 110.235 176.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.407 ' HB3' ' CD1' ' A' ' 13' ' ' ILE . 15.0 mmt180 -65.24 -45.88 82.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.048 177.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -68.44 -27.01 65.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.131 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.42 -36.72 83.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.026 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -79.16 -21.22 46.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.244 0.545 . . . . 0.0 109.917 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -69.3 122.02 84.04 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.65 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -85.02 156.63 11.38 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.39 2.06 . . . . 0.0 112.312 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.773 -0.632 . . . . 0.0 110.66 -177.572 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 111.3 0.111 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -81.91 -72.98 0.41 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.73 0.3 . . . . 0.0 110.267 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 55.3 tp -103.62 117.22 33.9 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 284' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' B' ' 284' ' ' LEU . 4.2 mm? -82.78 137.39 34.37 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.272 0.558 . . . . 0.0 111.766 -175.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 285' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' B' ' 285' ' ' ARG . 42.6 mtt180 -72.26 127.97 34.19 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.41 174.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 16.5 pt -84.19 135.03 25.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 C-N-CA 120.221 -0.592 . . . . 0.0 109.68 177.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 287' ' ' ALY . . . . . 0.544 ' HE2' HD21 ' A' ' 86' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -80.32 61.57 4.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.954 0.407 . . . . 0.0 111.36 -177.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -88.96 104.57 17.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.441 0.639 . . . . 0.0 110.609 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 25.6 tp -157.92 152.79 25.27 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.341 -0.845 . . . . 0.0 108.758 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -86.35 70.69 10.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.471 0.653 . . . . 0.0 110.054 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.25 1.125 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.274 -179.942 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 111.856 -0.498 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 59.92 55.81 3.69 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 122.549 0.34 . . . . 0.0 110.609 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.45 ' HG ' ' CZ ' ' A' ' 63' ' ' ARG . 97.4 mt 61.52 95.66 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.221 -176.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.4 t -73.88 -179.92 3.95 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.42 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -51.86 -44.95 63.89 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -171.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.468 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 1.6 mp0 -65.97 -44.06 86.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.826 0.346 . . . . 0.0 110.458 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.63 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 95.4 mt -76.85 -27.61 55.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.125 0.488 . . . . 0.0 111.356 -176.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -72.75 -33.98 66.7 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -71.73 -37.28 70.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.79 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.63 ' SG ' ' HA ' ' A' ' 7' ' ' LEU . 14.5 p -68.29 -29.43 68.2 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.068 178.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -66.61 -40.18 88.71 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.944 176.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.25 -42.42 57.57 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.417 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.94 -50.65 78.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.052 0.453 . . . . 0.0 110.457 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.704 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.3 tt -54.96 -47.67 74.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.859 176.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -55.94 -37.43 68.96 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.22 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -74.17 -42.41 59.94 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.676 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.59 -20.89 66.52 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.9 mt -92.08 -13.44 30.83 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.193 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 76.8 p -68.85 154.14 42.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.345 0.593 . . . . 0.0 111.283 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -63.69 -17.31 62.85 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.087 -177.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -60.47 -37.32 80.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.904 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -108.07 -11.87 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.86 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.21 -34.73 15.44 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -174.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.06 -29.55 44.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.812 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -134.92 19.95 3.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.148 0.499 . . . . 0.0 110.882 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.434 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -114.73 -12.93 12.1 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.065 177.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.607 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.7 p-90 -55.93 -35.0 29.68 Favored Pre-proline 0 CA--C 1.547 0.834 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -177.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.1 Cg_endo -54.62 -22.36 28.18 Favored 'Trans proline' 0 C--N 1.369 1.633 0 C-N-CA 121.785 1.657 . . . . 0.0 113.092 177.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.542 ' CD1' HD12 ' A' ' 99' ' ' LEU . 2.2 m-85 -112.27 -8.22 13.96 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -171.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -56.72 -53.97 51.59 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.971 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -134.23 157.03 78.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.493 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.62 135.4 66.67 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.103 2.535 . . . . 0.0 111.914 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.434 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -60.14 146.55 10.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.964 -177.073 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -87.68 66.96 9.1 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -177.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -48.73 -46.09 40.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.383 -171.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -60.05 -38.89 84.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.807 0.337 . . . . 0.0 111.092 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.96 -17.1 57.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.886 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.542 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -103.31 6.99 38.33 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 120.09 -0.644 . . . . 0.0 111.099 178.218 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.03 6.48 88.84 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 121.169 -0.539 . . . . 0.0 112.777 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.542 ' HG ' ' HB2' ' A' ' 38' ' ' LEU . 7.2 mt -87.85 89.4 7.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.916 0.388 . . . . 0.0 110.336 -177.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -85.33 3.51 39.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.668 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -126.85 21.96 6.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.919 -173.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -71.91 -40.6 68.72 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.636 0.255 . . . . 0.0 111.611 -172.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -83.17 -3.96 57.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.744 0.307 . . . . 0.0 111.004 -175.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -89.55 -46.86 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.083 0.468 . . . . 0.0 110.337 175.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -73.5 -44.31 54.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.272 0.558 . . . . 0.0 109.7 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.697 HD12 ' HB2' ' A' ' 81' ' ' ASN . 40.2 mm -92.87 98.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.822 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -84.88 -22.08 29.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.322 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.533 ' ND1' HD22 ' A' ' 77' ' ' LEU . 9.2 p80 -120.63 69.25 16.14 Favored Pre-proline 0 CA--C 1.541 0.598 0 CA-C-O 120.701 0.286 . . . . 0.0 111.724 174.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.29 117.9 5.01 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.746 2.298 . . . . 0.0 112.435 175.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.592 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 29.6 tpp -133.28 149.28 51.95 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.291 178.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.26 148.12 51.96 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 -176.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.9 mt -57.53 -38.56 74.89 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.65 0.659 . . . . 0.0 112.158 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.3 m -64.0 -29.81 70.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.931 0.396 . . . . 0.0 111.077 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.592 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 2.8 m -80.44 -34.79 35.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.493 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.4 t -60.4 -47.13 93.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-O 121.445 0.64 . . . . 0.0 109.287 175.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.704 ' HG3' HD13 ' A' ' 14' ' ' LEU . 18.4 tttt -64.26 -40.51 96.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.763 179.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -54.14 -50.6 66.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.223 177.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -74.67 -29.81 61.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.682 -177.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 29.3 ttm -65.09 -37.99 89.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.294 171.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 43.5 mt-10 -64.73 -31.58 72.86 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.062 0.458 . . . . 0.0 110.699 177.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.412 ' N ' HD22 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -83.69 -0.73 51.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.771 177.346 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.45 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 17.2 mmt85 57.25 33.13 22.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.566 176.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.02 -23.21 65.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.317 175.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.545 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -84.16 143.52 29.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.672 -176.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -104.07 -31.92 9.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.949 0.404 . . . . 0.0 110.205 175.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -141.91 165.91 26.15 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.929 -175.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.468 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -73.21 -16.07 61.42 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.371 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -74.45 -26.18 59.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.38 177.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -76.41 -31.76 58.12 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.327 173.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.594 ' O ' HG12 ' A' ' 75' ' ' VAL . 5.7 t80 -65.19 -51.72 59.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.728 171.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.541 ' O ' ' HB3' ' A' ' 76' ' ' ARG . . . -55.71 -36.8 67.58 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.515 178.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.27 85.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.95 176.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.31 -52.96 13.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.971 -177.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 71' ' ' PHE . 3.5 p -64.78 -37.29 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 120.71 0.291 . . . . 0.0 111.388 -176.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.541 ' HB3' ' O ' ' A' ' 72' ' ' ALA . 32.2 ttt180 -73.25 -29.86 63.05 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 120.399 -0.52 . . . . 0.0 109.997 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.533 HD22 ' ND1' ' A' ' 49' ' ' HIS . 4.1 mt -60.1 -36.51 77.58 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.287 0.565 . . . . 0.0 110.877 173.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.646 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 9.8 tmm? -63.29 -53.13 57.56 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.18 176.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -58.84 -39.57 81.67 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.253 0.549 . . . . 0.0 110.456 176.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.4 t -60.06 -51.62 68.86 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.621 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.697 ' HB2' HD12 ' A' ' 47' ' ' ILE . 9.1 p30 -65.88 -28.11 68.71 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.888 -174.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.439 ' SG ' ' HB ' ' A' ' 92' ' ' VAL . 19.3 t -63.79 -43.09 97.36 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.442 176.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -66.3 -24.8 66.61 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.782 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -74.94 -46.9 32.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.462 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.629 ' HB2' HD11 ' A' ' 47' ' ' ILE . 88.7 t80 -75.37 -53.23 9.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.186 0.517 . . . . 0.0 111.033 -176.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -88.51 129.39 49.33 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.793 -172.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -64.36 151.43 85.5 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.219 1.946 . . . . 0.0 110.699 174.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.69 -21.18 14.14 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 124.245 3.297 . . . . 0.0 113.626 -173.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -94.09 70.39 3.89 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.41 ' O ' HG22 ' A' ' 93' ' ' VAL . 3.7 t-80 -156.84 162.62 39.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.271 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -69.13 -46.5 67.49 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.439 ' HB ' ' SG ' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -63.86 -28.4 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -171.077 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 90' ' ' HIS . 22.9 m -75.93 -34.07 26.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.635 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.31 -42.3 68.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.008 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 57.2 mtm -66.62 -38.28 86.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.482 177.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.42 -31.87 72.9 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 120.916 0.389 . . . . 0.0 110.317 178.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 42.9 ttp180 -74.35 -43.15 57.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.953 -178.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.406 ' HA ' ' OD2' ' A' ' 101' ' ' ASP . 85.3 tttt -70.31 -41.72 72.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.537 -177.104 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.542 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -67.03 -28.6 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.104 172.704 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.462 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 7.2 tp60 -61.45 -41.71 97.64 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.406 ' OD2' ' HA ' ' A' ' 98' ' ' LYS . 71.6 m-20 -56.04 -51.91 66.12 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.97 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.598 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.7 p -65.46 -55.15 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.462 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -54.08 -43.9 70.72 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.95 -33.13 70.17 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.184 -175.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -69.53 -38.12 77.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.216 178.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 27.5 mmt180 -64.97 -45.95 83.55 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.245 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -68.83 -29.92 68.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.197 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.42 -32.84 73.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.565 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.03 -11.08 33.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.343 0.592 . . . . 0.0 110.359 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -73.6 125.61 90.42 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.914 175.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -81.52 144.15 14.04 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 121.617 1.545 . . . . 0.0 112.12 175.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.9 t70 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.231 -176.147 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 67.69 100.44 0.05 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.92 0.762 . . . . 0.0 110.651 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 56.8 tp -80.07 80.16 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.387 0.613 . . . . 0.0 110.195 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 53.2 tp -69.41 135.67 50.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.234 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 285' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -70.97 149.77 46.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.31 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 286' ' ' ILE . . . . . 0.642 HD13 ' H ' ' B' ' 286' ' ' ILE . 0.1 OUTLIER -98.01 133.6 39.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.097 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 287' ' ' ALY . . . . . 0.499 ' HG2' HD11 ' A' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -78.77 65.2 3.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.496 0.665 . . . . 0.0 110.678 -176.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -112.24 24.24 12.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.246 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 6.7 mp -86.87 76.36 9.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.777 -179.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -90.24 -62.73 1.4 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.909 -176.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 40.0 m . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.555 -0.736 . . . . 0.0 110.594 -177.594 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 112.2 -0.36 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.462 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 47.3 mmtm 59.83 43.28 15.33 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 122.796 0.438 . . . . 0.0 111.322 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.522 ' HG ' ' CZ ' ' A' ' 63' ' ' ARG . 93.1 mt 67.93 106.13 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.169 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.0 m -66.34 170.72 5.61 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 174.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -56.43 -39.48 73.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 117.856 0.298 . . . . 0.0 111.258 -176.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.482 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 1.8 mp0 -59.89 -47.55 85.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.092 175.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.642 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 95.9 mt -73.91 -24.45 59.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.109 0.48 . . . . 0.0 111.564 -175.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -72.2 -36.0 69.09 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.93 -32.15 65.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.089 177.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.679 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 13.9 p -71.78 -27.25 62.83 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -72.78 -37.99 67.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.773 176.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.94 -50.36 41.5 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.694 -178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 106' ' ' ARG . 12.7 mt -59.83 -43.24 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 120.754 0.311 . . . . 0.0 111.333 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.708 HD13 ' HG3' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -57.0 -47.26 81.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.274 176.655 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -55.52 -40.65 72.06 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.848 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -65.28 -46.39 80.63 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.581 -177.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.6 mt -64.78 -23.34 67.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.944 177.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 67.8 mt -93.29 -6.67 46.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.89 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 m -73.76 145.21 45.26 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.119 0.485 . . . . 0.0 110.755 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HA ' ' HB2' ' A' ' 23' ' ' ALA . 33.0 tptt -60.71 -20.59 61.48 Favored 'General case' 0 C--N 1.335 -0.055 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.896 -175.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -54.83 -36.49 65.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.103 173.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -107.53 -13.45 15.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.834 -176.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.418 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -50.53 -33.07 20.22 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.81 -24.29 35.19 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.473 0.483 . . . . 0.0 111.668 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -139.11 19.91 2.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.996 0.427 . . . . 0.0 110.647 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.52 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -117.95 -13.55 10.04 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.548 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.612 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 69.5 p-90 -55.64 -34.61 26.46 Favored Pre-proline 0 CA--C 1.546 0.819 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -176.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 1.3 Cg_endo -53.9 -26.11 38.5 Favored 'Trans proline' 0 C--N 1.367 1.514 0 C-N-CA 121.608 1.539 . . . . 0.0 113.068 177.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.587 ' CD1' HD12 ' A' ' 99' ' ' LEU . 2.0 m-85 -108.84 -8.86 15.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.751 -172.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -54.28 -55.77 25.03 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.661 0.267 . . . . 0.0 111.244 176.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -133.89 155.58 80.12 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.236 -177.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 9.9 Cg_endo -52.98 139.75 60.36 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.038 2.492 . . . . 0.0 112.543 -178.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.514 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -59.58 147.68 8.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.763 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -89.68 66.4 7.15 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.6 -40.89 63.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.939 -169.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.9 m -64.55 -41.58 96.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.857 0.36 . . . . 0.0 110.932 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.09 -24.77 55.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.445 0.64 . . . . 0.0 110.541 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.459 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 33.0 mt -80.96 -6.18 58.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.048 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.86 6.5 89.07 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.017 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.459 ' HG ' ' CB ' ' A' ' 38' ' ' LEU . 11.6 mt -83.45 89.63 7.08 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.142 0.496 . . . . 0.0 109.736 -177.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -75.53 -11.58 60.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.851 -170.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -137.21 43.46 2.34 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.195 0.522 . . . . 0.0 110.889 -176.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -66.74 -38.7 87.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.776 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -81.4 -0.94 43.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.935 0.397 . . . . 0.0 111.583 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.32 -39.47 10.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.93 0.395 . . . . 0.0 110.473 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.68 -42.78 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.52 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.645 HD11 ' HB2' ' A' ' 85' ' ' TYR . 19.6 mm -86.97 120.54 36.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -178.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 61.5 mmtt -92.52 -30.24 15.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.641 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -125.49 72.27 66.81 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.304 176.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.29 106.19 0.98 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.321 2.014 . . . . 0.0 111.882 176.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.622 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 30.4 tpp -133.51 149.53 51.71 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.368 -178.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' OD2' ' HA ' ' A' ' 32' ' ' PRO . 5.0 m-20 -138.32 153.24 49.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.2 mt -57.4 -39.54 76.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 118.476 0.58 . . . . 0.0 112.108 -175.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.1 p -60.65 -35.6 76.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.856 0.36 . . . . 0.0 111.041 177.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.622 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 1.9 m -76.66 -35.81 57.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.558 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.1 t -60.26 -46.98 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.708 ' HG3' HD13 ' A' ' 14' ' ' LEU . 16.5 tttt -65.78 -39.97 91.51 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.152 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -54.19 -54.88 33.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.859 176.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -68.82 -30.38 68.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.591 -177.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 28.8 ttm -65.85 -40.08 91.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.444 173.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 39.5 mt-10 -66.89 -31.35 71.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.098 0.475 . . . . 0.0 110.751 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.439 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -81.02 -3.76 52.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.476 0.655 . . . . 0.0 109.557 177.068 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.522 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 14.3 mmt85 59.77 37.6 21.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 114.35 -1.296 . . . . 0.0 111.764 177.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.97 -22.24 64.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.512 171.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.513 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -86.42 140.31 30.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.192 -175.758 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -102.06 -32.82 9.96 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.727 176.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -140.64 159.87 41.26 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -173.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.482 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -69.4 -17.31 63.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.967 0.413 . . . . 0.0 109.926 179.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -72.29 -32.73 66.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.855 177.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -67.6 -34.55 77.23 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 173.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CG ' ' HB2' ' A' ' 10' ' ' CYS . 5.5 t80 -64.94 -53.56 44.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.804 173.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.413 ' HA ' ' CG1' ' A' ' 75' ' ' VAL . . . -56.09 -37.28 69.15 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.469 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 77' ' ' LEU . . . -56.73 -48.54 77.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.914 175.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -77.48 -42.32 36.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.681 -173.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 71' ' ' PHE . 3.6 p -68.2 -42.67 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -178.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -71.97 -27.92 63.09 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.772 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -63.99 -32.26 73.74 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.266 174.247 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.646 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 8.1 tmm? -64.58 -52.39 57.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.339 176.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -60.52 -33.95 73.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.998 0.427 . . . . 0.0 110.821 176.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.2 t -63.97 -47.25 81.12 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.282 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.646 ' ND2' ' HA ' ' A' ' 78' ' ' MET . 11.0 p30 -68.4 -24.79 64.8 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.865 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.418 ' SG ' HH32 ' B' ' 287' ' ' ALY . 62.6 m -63.95 -47.28 81.07 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 176.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -68.14 -23.88 64.93 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.175 0.512 . . . . 0.0 110.199 177.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -33.97 62.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.293 -176.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.645 ' HB2' HD11 ' A' ' 47' ' ' ILE . 67.9 t80 -93.2 -51.4 5.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.573 178.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.613 ' ND2' ' HD2' ' A' ' 85' ' ' TYR . 5.0 m120 -80.94 130.38 63.75 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 122.311 -0.243 . . . . 0.0 110.465 -174.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.87 159.08 39.5 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.647 2.231 . . . . 0.0 111.982 176.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -49.89 -25.19 11.63 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 124.631 3.554 . . . . 0.0 114.761 -169.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -118.02 93.26 4.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.161 0.505 . . . . 0.0 110.694 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.613 ' O ' HG22 ' A' ' 93' ' ' VAL . 18.1 t-80 -161.65 154.36 20.33 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -53.04 -44.38 67.37 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.419 HG23 ' H ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -65.46 -28.74 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -172.008 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 90' ' ' HIS . 13.0 m -80.88 -34.55 13.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.344 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.97 -40.22 78.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.224 176.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 50.5 mtm -68.29 -33.16 73.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.96 175.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.23 -46.89 78.77 Favored 'General case' 0 C--O 1.227 -0.106 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.529 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 62.5 mtt180 -59.05 -46.29 88.63 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.514 -179.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 101' ' ' ASP . 84.2 tttt -70.04 -42.85 72.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.108 -176.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.587 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -67.01 -31.87 72.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.54 174.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -67.24 -28.53 68.13 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 98' ' ' LYS . 15.4 t70 -66.2 -47.92 72.33 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.227 178.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.413 HG12 ' H ' ' A' ' 102' ' ' VAL . 0.6 OUTLIER -64.03 -55.82 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.735 177.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -50.7 -42.39 56.96 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 177.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -70.25 -36.86 74.75 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.107 -173.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -81.48 -27.3 34.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.745 0.307 . . . . 0.0 111.002 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.438 ' HB3' ' CD1' ' A' ' 13' ' ' ILE . 15.1 mmt180 -65.67 -46.35 79.42 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -71.85 -25.34 61.92 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.349 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.42 -38.98 78.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.999 0.428 . . . . 0.0 110.564 176.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -24.66 61.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.668 177.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -70.48 118.91 68.92 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.846 177.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -92.61 161.58 2.88 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 122.908 2.406 . . . . 0.0 112.266 175.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.755 175.12 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 110.557 -0.164 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -63.55 -52.47 60.97 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 176.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 2.7 pp -91.3 158.44 16.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 173.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 66.7 tp -154.2 135.73 14.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.625 0.25 . . . . 0.0 110.55 -175.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 285' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' B' ' 285' ' ' ARG . 41.7 mtt180 -58.98 120.15 8.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.883 177.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 286' ' ' ILE . . . . . . . . . . . . . 28.2 pt -77.6 130.27 36.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.317 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 287' ' ' ALY . . . . . 0.57 ' HE2' HD21 ' A' ' 86' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -76.29 65.38 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.403 0.621 . . . . 0.0 111.688 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -103.92 30.33 5.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.299 -0.864 . . . . 0.0 108.682 170.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 74.2 mt -85.6 94.33 9.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.291 -175.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -79.32 87.87 4.98 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 9.2 p . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.324 -0.846 . . . . 0.0 110.931 -177.479 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 0.1 OUTLIER 60.77 38.62 18.01 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.665 0.386 . . . . 0.0 110.962 177.396 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 7' ' ' LEU . 83.2 mt 72.69 123.84 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.952 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.2 t -77.22 171.05 15.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.303 173.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -55.44 -47.7 75.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.978 0.418 . . . . 0.0 110.609 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.464 ' HB3' ' H ' ' A' ' 68' ' ' ALA . 1.4 mp0 -57.55 -40.07 78.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.205 179.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.652 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 96.4 mt -79.37 -25.3 42.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.36 -177.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -71.29 -37.65 71.85 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 173.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.44 ' O ' HG13 ' A' ' 13' ' ' ILE . 1.8 t60 -70.6 -35.13 72.83 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.846 177.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.652 ' SG ' ' HA ' ' A' ' 7' ' ' LEU . 14.2 p -69.89 -29.18 66.31 Favored 'General case' 0 C--N 1.334 -0.07 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.989 177.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -67.95 -39.73 83.35 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.187 0.518 . . . . 0.0 109.738 176.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.01 -42.31 52.3 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.542 -0.753 . . . . 0.0 112.542 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.537 HG12 ' HB3' ' A' ' 106' ' ' ARG . 94.1 mt -61.64 -45.19 99.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.948 0.404 . . . . 0.0 110.443 177.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.697 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -58.94 -44.11 91.33 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.257 177.42 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -56.56 -36.86 69.78 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.783 177.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.42 -47.25 76.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.366 -178.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.422 HD22 HD13 ' A' ' 99' ' ' LEU . 14.4 mt -69.15 -24.86 64.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.234 0.54 . . . . 0.0 109.842 -178.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.0 mt -88.32 -9.97 51.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.743 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.6 m -68.94 143.7 54.37 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.126 0.489 . . . . 0.0 110.948 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 23' ' ' ALA . 31.4 mmtm -58.42 -20.03 41.27 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.004 177.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -55.72 -35.83 66.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.172 173.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -111.72 -12.5 13.86 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.025 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.423 ' HB2' ' HA ' ' A' ' 20' ' ' LYS . . . -48.86 -34.29 12.29 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -176.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.19 -18.39 15.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.873 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -144.95 21.92 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.072 0.463 . . . . 0.0 110.778 176.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.488 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -119.74 -11.66 9.35 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.586 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.575 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.4 p-90 -57.04 -35.92 40.9 Favored Pre-proline 0 CA--C 1.546 0.794 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -175.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 2.8 Cg_endo -55.23 -21.59 29.17 Favored 'Trans proline' 0 C--N 1.368 1.57 0 C-N-CA 121.481 1.454 . . . . 0.0 113.293 177.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.597 ' CD1' HD12 ' A' ' 99' ' ' LEU . 4.8 m-85 -108.59 -10.18 15.25 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -171.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -54.47 -52.53 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.232 -0.187 . . . . 0.0 111.108 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -134.63 160.27 69.07 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.192 177.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.51 ' HD3' ' OD2' ' A' ' 52' ' ' ASP . 13.8 Cg_endo -56.27 146.67 70.89 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.635 2.223 . . . . 0.0 111.258 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.479 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -62.98 143.63 15.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.883 -177.249 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -83.54 68.89 9.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.118 -176.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.626 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -53.87 -33.05 55.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.59 -176.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 m -61.4 -39.86 92.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.033 0.444 . . . . 0.0 110.948 177.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.73 -25.13 21.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.251 0.548 . . . . 0.0 110.943 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.459 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 36.4 mt -83.73 -4.96 59.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.395 -177.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.42 8.74 87.08 Favored Glycine 0 C--N 1.33 0.196 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.986 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.626 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 13.4 mt -86.2 80.45 8.76 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.296 0.569 . . . . 0.0 110.823 -177.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -70.81 -15.67 62.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.402 -176.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.68 22.82 14.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -173.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -64.81 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.942 -177.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -86.15 1.28 51.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.853 0.359 . . . . 0.0 111.158 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -92.64 -45.78 7.91 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.935 HG22 HD13 ' A' ' 47' ' ' ILE . 1.9 mp -75.19 -44.2 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.374 179.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.935 HD13 HG22 ' A' ' 46' ' ' ILE . 14.7 mm -94.74 108.28 20.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.975 -174.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 25.0 mmtp -89.61 -22.82 22.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.677 -176.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.3 m170 -123.66 60.12 18.55 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.739 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.09 111.98 2.38 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.547 2.165 . . . . 0.0 112.628 -177.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.506 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 30.8 tpp -134.45 152.09 51.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.561 -178.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.585 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.5 p-10 -138.89 162.92 33.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.635 178.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.3 mt -63.44 -35.74 81.44 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -175.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.8 t -64.42 -40.7 96.28 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.766 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.506 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 21.3 m -72.9 -32.95 65.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.425 0.155 . . . . 0.0 111.063 177.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 52' ' ' ASP . 86.8 t -60.04 -46.25 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.336 0.589 . . . . 0.0 109.417 175.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.697 ' HG3' HD13 ' A' ' 14' ' ' LEU . 19.8 tttt -65.48 -42.32 92.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.853 177.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -54.4 -50.53 67.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.096 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -71.86 -31.91 66.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.723 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.7 ttm -62.55 -39.0 92.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.236 172.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 48.8 mt-10 -67.6 -31.71 71.94 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.941 0.401 . . . . 0.0 110.96 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.404 ' N ' HD22 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -80.48 -1.81 43.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.495 0.664 . . . . 0.0 109.392 177.591 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 58.01 35.13 24.97 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 114.181 -1.372 . . . . 0.0 111.587 175.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.45 -22.76 61.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.106 173.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.517 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -81.23 143.48 32.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.187 179.487 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.525 ' HB3' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -108.97 -27.86 9.44 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.727 0.299 . . . . 0.0 110.363 176.393 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -143.24 165.39 27.58 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.922 0.392 . . . . 0.0 110.022 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.464 ' H ' ' HB3' ' A' ' 6' ' ' GLN . . . -72.08 -16.12 62.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.248 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -68.89 -39.05 79.97 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.525 ' OE1' ' HB3' ' A' ' 66' ' ' ARG . 44.4 mt-10 -66.74 -33.49 75.76 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.164 176.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.604 ' O ' HG12 ' A' ' 75' ' ' VAL . 6.1 t80 -64.23 -53.55 47.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.766 172.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.61 -40.86 66.07 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.158 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.71 -46.43 81.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.287 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.45 -50.7 43.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.972 0.415 . . . . 0.0 111.532 -177.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.604 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.6 p -66.38 -41.25 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.616 -176.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -69.79 -28.48 65.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.851 0.358 . . . . 0.0 110.327 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -43.12 99.38 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.0 tmm? -57.99 -48.97 78.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.967 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -59.8 -38.99 83.49 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.21 0.529 . . . . 0.0 110.717 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 84' ' ' LYS . 48.7 m -62.04 -37.74 86.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.036 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -64.65 -34.32 78.01 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.106 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.4 t -64.31 -47.23 80.21 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.412 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -69.8 -21.26 63.41 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.341 0.591 . . . . 0.0 110.172 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -79.89 -31.49 40.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.668 -178.127 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.641 ' HD2' ' ND2' ' A' ' 86' ' ' ASN . 69.6 t80 -93.13 -58.33 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.236 0.541 . . . . 0.0 111.319 178.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.641 ' ND2' ' HD2' ' A' ' 85' ' ' TYR . 9.8 m120 -77.38 140.23 64.73 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.687 -172.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -64.0 153.7 74.47 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 121.999 1.799 . . . . 0.0 110.298 170.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -49.72 -21.42 5.61 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 124.411 3.407 . . . . 0.0 114.596 -170.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -120.82 94.95 4.51 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.496 0.665 . . . . 0.0 110.871 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.631 ' O ' HG22 ' A' ' 93' ' ' VAL . 6.2 t-80 -157.97 157.83 33.77 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.39 -40.79 71.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 118.593 0.633 . . . . 0.0 112.622 -176.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -32.52 56.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -173.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 90' ' ' HIS . 17.9 m -74.34 -32.66 31.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.306 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.94 -42.03 77.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.051 176.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 54.6 mtm -67.67 -33.85 75.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.225 176.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.31 -45.08 81.56 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.535 178.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 93' ' ' VAL . 67.5 mtm180 -60.87 -45.69 93.55 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.898 0.38 . . . . 0.0 111.287 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 101' ' ' ASP . 83.2 tttt -69.07 -43.26 74.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.956 -175.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.597 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -66.05 -28.4 68.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.02 173.479 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.485 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 26.0 tp60 -60.78 -38.97 87.1 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 174.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 6.4 m-20 -58.27 -57.27 13.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.159 177.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 99' ' ' LEU . 1.8 p -59.77 -50.26 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.394 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.4 -43.91 88.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.648 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -71.7 -31.97 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.438 -176.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -68.87 -39.32 79.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.368 0.604 . . . . 0.0 109.889 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.537 ' HB3' HG12 ' A' ' 13' ' ' ILE . 79.9 mmt-85 -62.38 -47.24 85.01 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.225 177.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -72.55 -29.69 63.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.646 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.16 -35.51 81.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.624 0.25 . . . . 0.0 111.599 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -90.63 -16.6 28.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 110.669 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -65.74 122.81 82.58 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.655 176.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -88.19 147.75 6.59 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.648 2.232 . . . . 0.0 113.031 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 . . . . . 0 C--O 1.247 0.926 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.75 177.73 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 12.9 p80 . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.934 0.397 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -143.46 -175.51 4.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 7.8 mp -68.81 -42.62 77.02 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.569 -0.901 . . . . 0.0 108.569 170.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 284' ' ' LEU . . . . . 0.49 ' HG ' ' H ' ' B' ' 285' ' ' ARG . 29.5 tp -161.61 179.41 8.2 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 175.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 285' ' ' ARG . . . . . 0.503 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 54.9 mtt180 -59.9 110.03 1.08 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 171.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 286' ' ' ILE . . . . . 0.405 HG23 ' O ' ' B' ' 284' ' ' LEU . 33.0 pt -95.55 14.2 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -171.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 287' ' ' ALY . . . . . 0.614 ' HE2' HD21 ' A' ' 86' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -83.89 61.73 6.56 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.12 0.486 . . . . 0.0 111.589 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -103.42 22.55 14.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.176 176.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 49.4 tp -89.92 -55.4 3.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.417 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 62.08 54.1 2.8 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.366 0.603 . . . . 0.0 110.609 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.215 -0.898 . . . . 0.0 109.406 179.565 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 112.094 -0.402 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -91.94 158.95 15.99 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.508 ' HG ' ' CZ ' ' A' ' 63' ' ' ARG . 93.2 mt -97.12 99.43 10.93 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 170.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.1 t -77.63 -179.1 5.67 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 177.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -52.05 -37.89 55.19 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -174.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -73.17 -44.65 59.61 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.823 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.57 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 96.7 mt -73.48 -25.51 60.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.286 0.565 . . . . 0.0 110.816 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -73.13 -35.51 66.53 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 173.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.47 ' O ' HG13 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -70.38 -36.54 74.18 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.827 176.608 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.596 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 13.1 p -68.1 -30.24 69.36 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 178.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -65.63 -41.92 92.09 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 121.254 0.549 . . . . 0.0 109.752 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.57 -39.39 49.66 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.828 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.52 HG12 ' HB3' ' A' ' 106' ' ' ARG . 90.9 mt -63.8 -47.56 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.987 0.422 . . . . 0.0 110.225 178.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.692 HD13 ' HG3' ' A' ' 57' ' ' LYS . 1.5 tt -58.75 -47.31 85.11 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.621 177.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -56.24 -39.52 72.67 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.472 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -61.83 -47.72 83.78 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.595 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.414 HD22 HD13 ' A' ' 99' ' ' LEU . 14.4 mt -65.65 -23.16 66.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.131 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.9 mt -91.89 -8.23 47.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.959 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.8 m -75.57 147.87 39.32 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.103 0.478 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -56.91 -24.63 53.64 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.888 -176.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -56.45 -31.96 64.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.542 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -113.08 -12.22 13.22 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.832 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.0 -34.24 20.49 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -176.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.66 -25.52 39.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.969 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -137.75 20.13 2.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.965 0.412 . . . . 0.0 110.695 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.474 ' CB ' HD11 ' A' ' 99' ' ' LEU . . . -116.25 -14.54 11.08 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.502 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.602 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 70.0 p-90 -55.8 -34.27 24.02 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -176.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 27' ' ' TRP . 2.4 Cg_endo -55.4 -22.43 33.97 Favored 'Trans proline' 0 C--N 1.368 1.584 0 C-N-CA 121.655 1.57 . . . . 0.0 113.163 176.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.607 ' CD1' HD12 ' A' ' 99' ' ' LEU . 3.4 m-85 -110.82 -7.52 14.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -172.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -56.87 -53.42 58.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.633 0.254 . . . . 0.0 110.504 175.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -137.19 159.11 71.03 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.685 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.506 ' HD3' ' OD1' ' A' ' 52' ' ' ASP . 11.2 Cg_endo -54.85 148.56 45.78 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 123.286 2.657 . . . . 0.0 112.616 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.547 HG11 ' NZ ' ' B' ' 287' ' ' ALY . 0.9 OUTLIER -70.26 145.49 12.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.053 -178.36 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.46 ' O ' HD12 ' A' ' 38' ' ' LEU . 7.6 m-20 -84.05 66.7 9.36 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.916 -176.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.487 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -49.22 -46.42 45.8 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.1 -173.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.4 t -57.19 -36.2 70.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.169 0.509 . . . . 0.0 110.648 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.1 -33.81 38.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.017 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.515 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -88.85 3.26 51.83 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.961 -179.224 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.7 14.84 77.07 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.389 177.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.515 ' HG ' ' HB2' ' A' ' 38' ' ' LEU . 8.4 mt -87.98 87.92 7.49 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.108 0.48 . . . . 0.0 109.957 -178.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -84.6 4.14 33.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.378 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -123.68 17.17 9.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.194 -175.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -68.58 -40.02 80.72 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 122.087 -0.383 . . . . 0.0 111.548 -173.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -84.11 2.35 39.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.777 0.322 . . . . 0.0 111.325 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -95.56 -44.7 7.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.238 175.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.72 -52.85 19.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.124 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.65 HD12 ' HB2' ' A' ' 81' ' ' ASN . 22.2 mm -82.63 108.73 15.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.11 -175.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -88.47 -24.94 22.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.271 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -119.75 68.48 11.82 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.579 175.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -70.97 104.29 1.49 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.111 1.874 . . . . 0.0 111.921 176.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.544 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 31.8 tpp -129.55 150.32 50.94 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.378 -179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.506 ' OD1' ' HD3' ' A' ' 32' ' ' PRO . 3.1 p30 -138.78 163.57 31.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.631 178.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 mt -63.61 -36.46 83.89 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -174.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 t -65.23 -33.12 75.25 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.832 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.544 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 16.8 m -78.84 -34.97 44.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.76 -0.2 . . . . 0.0 110.955 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 52' ' ' ASP . 99.3 t -59.75 -46.97 92.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 175.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.692 ' HG3' HD13 ' A' ' 14' ' ' LEU . 8.3 tttm -65.29 -39.76 92.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.814 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -55.59 -52.65 63.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.192 177.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -70.64 -30.36 66.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.527 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.6 ttm -64.54 -38.8 92.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.207 171.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 46.8 mt-10 -67.08 -29.36 69.11 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.961 0.41 . . . . 0.0 111.054 179.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.74 -6.06 54.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.425 0.631 . . . . 0.0 109.511 174.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.508 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 21.9 mmt85 59.62 35.01 22.41 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.491 -1.231 . . . . 0.0 111.057 178.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.58 -7.2 54.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.378 175.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.494 ' HD2' ' N ' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -93.62 139.18 31.08 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.173 177.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -106.94 -27.36 10.73 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.92 0.39 . . . . 0.0 110.371 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -144.35 157.41 44.27 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -176.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.54 ' HB3' ' HE2' ' A' ' 110' ' ' MET . . . -69.83 -13.61 62.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.159 0.504 . . . . 0.0 110.186 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.29 -34.98 75.53 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.317 174.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -71.18 -30.9 66.99 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.866 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CG ' ' HB2' ' A' ' 10' ' ' CYS . 7.2 t80 -66.49 -51.42 56.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.869 171.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.32 -36.72 66.53 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.607 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 77' ' ' LEU . . . -57.82 -49.33 77.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.748 175.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.71 -52.33 32.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.899 -178.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 71' ' ' PHE . 3.7 p -66.27 -41.91 89.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -174.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -70.91 -28.2 64.35 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.422 -0.511 . . . . 0.0 109.953 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -64.53 -33.99 77.2 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-O 121.08 0.467 . . . . 0.0 110.301 174.816 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.636 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 10.7 tmm? -63.99 -52.22 60.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.565 177.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -60.77 -34.93 75.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.985 0.422 . . . . 0.0 110.622 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.7 t -62.07 -48.19 81.33 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.103 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.65 ' HB2' HD12 ' A' ' 47' ' ' ILE . 10.8 p30 -67.85 -26.3 65.97 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.853 -177.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 62.2 m -64.19 -46.98 81.58 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 122.4 -0.188 . . . . 0.0 111.043 177.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -67.76 -24.05 65.3 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.126 0.488 . . . . 0.0 110.472 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -68.27 -47.28 68.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.651 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.627 ' HB2' HD11 ' A' ' 47' ' ' ILE . 66.7 t80 -76.87 -54.91 5.98 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.35 -175.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -88.55 132.16 39.76 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.044 -170.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -63.75 155.51 63.12 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.511 2.14 . . . . 0.0 111.25 174.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -53.07 -23.63 22.65 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 124.305 3.337 . . . . 0.0 114.642 -169.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -106.01 74.52 1.05 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.024 0.44 . . . . 0.0 109.889 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.735 ' O ' HG22 ' A' ' 93' ' ' VAL . 13.7 t-80 -155.37 141.98 18.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.869 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -49.59 -43.9 46.65 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -172.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -22.4 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -172.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.735 HG22 ' O ' ' A' ' 90' ' ' HIS . 10.5 m -81.34 -32.33 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.104 -0.638 . . . . 0.0 109.767 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.94 -44.33 63.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.457 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.421 ' SD ' ' HG3' ' A' ' 28' ' ' PRO . 59.2 mtm -63.74 -33.55 75.91 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.938 176.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.06 -32.5 72.01 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.568 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 100' ' ' GLN . 47.1 ttt180 -76.3 -42.37 45.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.966 0.412 . . . . 0.0 110.948 -176.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.508 ' O ' ' HB3' ' A' ' 101' ' ' ASP . 84.9 tttt -68.81 -41.22 78.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.652 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.607 HD12 ' CD1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -67.31 -28.62 68.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.065 172.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.407 ' HB3' ' O ' ' A' ' 97' ' ' ARG . 6.3 tp-100 -61.53 -38.13 86.28 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 174.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.547 ' O ' ' HD1' ' A' ' 105' ' ' PHE . 8.0 t70 -58.35 -57.85 11.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.952 177.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.536 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 1.6 p -59.18 -51.55 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.301 -178.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -57.6 -41.22 80.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.662 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 101' ' ' ASP . 6.2 pt-20 -66.87 -38.94 87.28 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.866 -176.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.547 ' HD1' ' O ' ' A' ' 101' ' ' ASP . 51.4 m-85 -73.55 -28.03 61.65 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.161 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 102' ' ' VAL . 14.6 mmt180 -68.19 -48.73 64.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.045 0.45 . . . . 0.0 110.019 176.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -67.02 -31.07 71.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.479 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.74 -39.36 84.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.578 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -81.83 -13.96 56.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.872 0.367 . . . . 0.0 111.054 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.54 ' HE2' ' HB3' ' A' ' 68' ' ' ALA . 3.8 tmm? -70.17 120.44 78.21 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.403 174.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -89.27 160.39 5.64 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.778 2.319 . . . . 0.0 112.784 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.5 t70 . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.743 -0.646 . . . . 0.0 110.164 -179.599 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 281' ' ' HIS . . . . . . . . . . . . . 68.7 m80 . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 120.901 0.382 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 282' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -98.59 -36.46 9.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.862 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 283' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -101.06 87.41 3.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.131 0.491 . . . . 0.0 110.893 -178.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 284' ' ' LEU . . . . . . . . . . . . . 76.2 mt -91.95 154.85 18.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.959 176.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 285' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' B' ' 285' ' ' ARG . 2.7 mpt_? -76.23 88.01 3.08 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 286' ' ' ILE . . . . . 0.578 HD13 ' H ' ' B' ' 286' ' ' ILE . 0.2 OUTLIER -50.61 130.57 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.417 0.627 . . . . 0.0 111.737 -177.521 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 287' ' ' ALY . . . . . 0.547 ' NZ ' HG11 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 288' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -83.27 67.52 9.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.46 0.648 . . . . 0.0 110.872 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 289' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -102.29 24.67 9.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.59 174.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.66 130.69 42.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.038 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 291' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 56.42 57.12 5.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.45 0.643 . . . . 0.0 110.644 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.424 -0.798 . . . . 0.0 110.599 -179.857 . . . . . . . . 0 0 . 1 stop_ save_