data_4csq_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 4csq _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 . . . . . 0 CA--C 1.49 -1.347 0 N-CA-C 108.585 -0.894 . . . . 72.44 108.585 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -92.96 -176.06 4.08 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 113.646 -1.615 . . . . 72.5 108.744 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.5 HD11 ' CD1' ' A' ' 89' ' ' TRP . 35.9 tp -63.88 -27.67 69.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.558 -0.292 . . . . 74.44 110.241 172.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.1 tp -61.23 -44.33 97.44 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 124.158 0.911 . . . . 71.51 112.119 174.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.95 -33.66 72.22 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.447 0.699 . . . . 74.33 111.526 177.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.97 -41.41 17.34 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.664 0.987 . . . . 73.32 113.664 -172.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.26 -21.53 63.89 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.177 0.806 . . . . 71.44 113.177 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.36 -42.0 96.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.133 0.573 . . . . 72.42 111.898 175.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.7 p -96.86 -10.53 26.33 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.334 0.494 . . . . 74.44 112.334 -176.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.15 154.77 37.55 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 113.072 0.767 . . . . 64.14 113.072 -173.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -110.85 -48.3 3.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.983 -1.008 . . . . 63.43 109.643 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.2 ttp -110.91 151.69 27.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.109 -0.951 . . . . 65.23 109.323 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.6 tp -142.25 123.01 14.3 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 109.815 -0.439 . . . . 75.3 109.815 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.446 ' OE1' ' HD3' ' A' ' 101' ' ' ARG . 43.1 mt-10 -99.76 153.64 18.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.327 -0.249 . . . . 73.13 110.327 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.479 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.0 tt -137.09 108.12 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-O 121.975 0.893 . . . . 73.13 109.933 176.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.4 t0 62.91 24.95 14.83 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 125.055 1.342 . . . . 65.15 111.047 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.8 -11.35 60.88 Favored Glycine 0 CA--C 1.532 1.136 0 O-C-N 121.495 -0.753 . . . . 72.11 112.82 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 tt -93.66 112.42 24.29 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.785 -0.821 . . . . 74.55 108.785 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -75.43 134.12 40.97 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.917 0.389 . . . . 73.23 111.753 -177.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.78 141.55 30.64 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.913 -0.585 . . . . 72.5 110.184 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -90.41 -15.79 30.29 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.654 -0.703 . . . . 74.4 110.458 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -143.07 142.57 31.58 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.538 -0.755 . . . . 74.21 110.26 -175.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -153.93 146.78 24.37 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.47 -0.567 . . . . 74.21 109.47 166.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -126.73 151.63 47.91 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.961 -0.563 . . . . 75.25 110.252 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -122.51 146.72 47.14 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.385 -0.825 . . . . 65.43 111.084 -172.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.638 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.2 t-20 -84.66 85.78 7.39 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.675 -0.861 . . . . 74.43 108.675 173.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -74.46 -26.9 60.33 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.703 0.801 . . . . 74.41 111.456 -170.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -60.39 -43.2 96.87 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.933 1.293 . . . . 61.14 110.999 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.2 tp -77.62 -24.16 49.63 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.737 -0.665 . . . . 73.21 110.899 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 27.8 mt -83.43 -19.63 35.59 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 112.309 0.485 . . . . 75.52 112.309 -176.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.8 -47.27 78.68 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 123.768 0.668 . . . . 75.34 109.334 166.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -71.97 -30.41 65.25 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 124.065 0.853 . . . . 74.21 112.065 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.32 -49.06 68.27 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.449 -0.796 . . . . 63.24 111.144 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -72.2 -31.78 66.18 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 123.608 0.568 . . . . 75.33 111.077 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.19 -41.82 93.77 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.993 0.917 . . . . 74.32 111.389 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.23 -40.11 74.68 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.494 -0.775 . . . . 73.41 110.803 175.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.83 81.97 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 123.229 0.612 . . . . 72.43 111.973 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -69.74 -19.87 63.52 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.784 0.834 . . . . 70.15 111.818 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.1 5.28 52.21 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.167 -0.469 . . . . 72.01 111.303 173.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t70 67.31 25.52 8.75 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.116 1.766 . . . . 74.21 111.626 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -105.77 124.35 36.4 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.505 -0.554 . . . . 72.42 109.505 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -60.83 124.66 15.42 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.486 2.124 . . . . 64.13 112.397 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -99.45 133.12 44.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.746 -0.661 . . . . 73.21 109.467 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -144.53 122.89 12.32 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.749 -0.659 . . . . 41.15 109.819 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.0 t -140.11 139.37 35.81 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.05 -0.722 . . . . 74.23 109.05 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -92.77 15.4 14.68 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.417 0.525 . . . . 64.25 112.417 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -78.49 162.91 26.01 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.334 -0.988 . . . . 73.42 108.334 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 6.5 p-90 -69.01 154.41 42.11 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.092 0.472 . . . . 75.31 110.446 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.6 p -133.14 -26.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 120.951 0.405 . . . . 73.14 110.794 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.2 tp -144.71 117.81 8.89 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-O 121.237 0.541 . . . . 75.2 111.415 -168.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.26 112.68 24.79 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.398 -0.819 . . . . 65.52 108.977 171.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.9 t -100.25 116.42 43.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 114.874 -1.057 . . . . 73.32 109.17 -173.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -118.76 121.42 40.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.602 0.715 . . . . 74.13 112.024 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.1 t -117.0 152.28 34.96 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.223 -0.899 . . . . 63.34 108.798 168.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.3 mt -109.18 118.78 37.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.971 -0.751 . . . . 71.35 108.971 173.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -104.91 117.95 35.33 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.517 -1.29 . . . . 75.34 107.517 170.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.04 -110.46 3.33 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 109.311 -1.516 . . . . 74.34 109.311 -163.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -134.36 19.95 3.67 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.263 0.468 . . . . 74.21 112.263 171.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 t -89.48 145.08 25.54 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 109.768 -0.456 . . . . 74.52 109.768 176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -86.19 125.81 33.81 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.672 -0.492 . . . . 71.24 109.672 176.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 -119.69 114.63 22.48 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.801 -0.814 . . . . 72.34 108.801 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -126.07 122.35 35.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.087 0.47 . . . . 63.42 111.248 -168.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 22.2 m-90 -111.81 123.99 51.42 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.593 -0.891 . . . . 74.5 108.593 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -109.32 128.93 55.48 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 120.194 -0.602 . . . . 73.42 110.468 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -115.35 138.05 51.39 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 114.732 -1.122 . . . . 74.4 110.173 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.8 p -76.31 159.72 30.3 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 123.712 0.632 . . . . 73.4 110.027 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -62.85 -31.91 73.03 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.808 -0.633 . . . . 74.24 110.321 175.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.72 -46.6 84.67 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.254 -0.885 . . . . 75.43 110.796 178.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.17 93.86 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 123.904 0.753 . . . . 60.35 111.671 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.11 -29.08 45.64 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.173 0 C-N-CA 123.918 0.887 . . . . 73.31 112.797 176.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.1 mmt -77.28 -30.12 54.16 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 122.186 -0.321 . . . . 74.24 111.667 172.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -90.05 2.52 55.11 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.306 0.643 . . . . 75.31 111.762 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.85 123.67 26.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.585 -0.734 . . . . 74.22 110.89 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -86.08 130.36 50.44 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 114.825 -1.079 . . . . 73.44 111.969 -171.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -67.54 119.99 7.02 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.038 1.825 . . . . 73.12 111.851 173.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -90.28 172.98 8.39 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.837 -0.62 . . . . 74.34 110.383 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.37 -5.78 50.89 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.131 0.789 . . . . 72.5 113.131 -174.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -75.1 -23.62 57.98 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 122.713 0.405 . . . . 74.52 110.596 172.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.86 -16.05 44.19 Favored Glycine 0 C--N 1.34 0.752 0 CA-C-N 115.902 -0.59 . . . . 73.51 114.297 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 6.3 mp0 -118.38 -13.96 9.77 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 117.351 0.575 . . . . 73.03 110.67 176.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.3 m -91.93 141.69 28.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.212 0.529 . . . . 73.54 111.62 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.5 ' CD1' HD11 ' A' ' 10' ' ' LEU . 70.0 m95 -128.13 138.66 52.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.362 -0.835 . . . . 75.23 110.042 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -94.26 102.57 14.58 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.846 0.355 . . . . 74.1 110.342 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 4.5 mm? -91.85 98.38 11.56 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 115.715 -0.675 . . . . 74.42 109.272 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.0 p -97.03 98.11 9.79 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-O 121.873 0.844 . . . . 73.03 110.303 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.9 p -106.92 176.2 5.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.601 -1.181 . . . . 74.04 109.086 -175.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -79.36 -6.9 88.8 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 121.326 -0.464 . . . . 50.43 112.069 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -93.3 -35.48 13.05 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 122.354 0.262 . . . . 75.31 110.61 173.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.34 179.7 39.85 Favored Glycine 0 N--CA 1.444 -0.81 0 O-C-N 123.328 0.392 . . . . 73.43 112.78 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 91' ' ' LEU . . . -96.37 131.39 42.97 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 110.047 -0.353 . . . . 52.35 110.047 177.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.401 ' O ' ' HB2' ' A' ' 91' ' ' LEU . 93.9 m-85 -131.69 120.03 22.19 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.631 0.772 . . . . 75.2 110.021 -175.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.479 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 38.7 tt0 -87.05 101.6 13.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.616 -176.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.1 mt -93.21 111.9 23.68 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 120.868 0.366 . . . . 72.53 110.806 -177.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.446 ' HD3' ' OE1' ' A' ' 21' ' ' GLU . 32.4 ttt180 -116.29 108.46 16.12 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 115.891 -0.595 . . . . 74.13 110.134 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 12.8 m -83.69 124.43 30.84 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.296 0.569 . . . . 72.35 110.593 -176.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 N--CA 1.447 -0.602 0 CA-C-N 114.986 -1.006 . . . . 73.44 110.835 -176.268 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 . . . . . 0 N--CA 1.446 -0.627 0 N-CA-C 108.413 -0.958 . . . . 75.1 108.413 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -100.41 167.51 10.34 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.773 -1.195 . . . . 75.02 107.773 170.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.5 HD11 ' CD1' ' A' ' 89' ' ' TRP . 48.9 tp -62.33 -30.95 71.53 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 123.13 0.268 . . . . 73.52 110.892 178.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.5 mt -58.89 -49.73 76.68 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 123.82 0.7 . . . . 71.52 111.899 172.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -64.19 -34.17 77.48 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.044 0.45 . . . . 75.14 111.068 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -69.17 -42.91 75.25 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.434 -0.803 . . . . 74.43 111.895 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 pp -75.19 -21.95 58.34 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 112.69 0.626 . . . . 75.12 112.69 -177.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -61.39 -37.34 83.09 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.321 0.648 . . . . 74.2 111.794 173.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 p -119.04 23.15 11.54 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 111.965 0.358 . . . . 75.54 111.965 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.2 130.9 34.8 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.642 -0.503 . . . . 71.42 109.642 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -94.54 -52.26 4.39 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.667 -0.864 . . . . 71.24 108.667 172.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.0 ttp -114.78 130.01 56.78 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.55 -1.205 . . . . 74.4 109.381 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.5 tp -122.6 128.89 51.27 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.387 0.613 . . . . 74.22 109.662 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 5.3 tt0 -109.65 152.49 25.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.883 -1.053 . . . . 75.21 110.437 -174.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.66 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 7.2 tt -137.24 112.88 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.202 0 CA-C-O 121.818 0.818 . . . . 74.33 110.869 173.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.34 26.86 16.06 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.684 1.194 . . . . 71.43 113.439 176.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.29 -20.64 47.81 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 120.927 -0.654 . . . . 53.01 112.907 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 tt -97.75 112.03 24.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.703 -0.851 . . . . 73.14 108.703 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 9.9 p80 -85.06 144.24 28.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.429 -0.508 . . . . 73.44 111.895 -173.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.2 157.09 18.39 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.786 -0.643 . . . . 72.04 109.706 173.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 10.6 p-90 -96.39 -17.77 20.39 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.01 -0.367 . . . . 73.43 110.01 176.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -153.36 140.8 19.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.215 0.606 . . . . 74.04 109.957 -174.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -140.19 153.41 46.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.109 -0.496 . . . . 71.11 110.407 172.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -124.38 143.95 50.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.05 0.452 . . . . 60.25 111.359 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.0 mt -113.48 147.77 37.24 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.599 -1.182 . . . . 75.15 108.941 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -82.53 97.72 8.59 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.604 -0.887 . . . . 71.24 108.604 174.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -72.32 -34.48 68.12 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.207 -0.906 . . . . 73.31 111.914 -171.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -65.05 -39.58 93.49 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.586 0.754 . . . . 70.12 111.05 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.2 tp -78.84 -32.03 45.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 72.11 111.466 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.1 -21.92 56.13 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.991 -0.55 . . . . 72.35 111.821 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.47 -41.25 89.3 Favored 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.322 0.388 . . . . 73.32 110.005 171.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -75.45 -26.91 58.66 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.687 -0.688 . . . . 71.43 111.472 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.96 81.8 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.285 0.634 . . . . 74.43 111.202 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -78.65 -32.3 47.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.703 -0.681 . . . . 73.11 110.643 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.13 -46.65 88.93 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.939 0.896 . . . . 73.4 110.286 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.71 -37.71 85.26 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.373 -0.831 . . . . 71.5 111.029 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.79 74.61 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.053 0.39 . . . . 72.23 112.053 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -79.57 -11.74 59.87 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.28 -0.418 . . . . 73.33 111.805 175.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.8 8.89 35.02 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.046 0.539 . . . . 74.32 111.529 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.8 t70 64.91 30.33 12.04 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 125.044 1.338 . . . . 73.34 111.562 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -117.54 124.33 29.03 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.957 -0.565 . . . . 65.01 109.771 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.26 125.78 14.02 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.632 2.221 . . . . 75.11 111.618 172.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -95.39 136.62 35.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.352 -0.386 . . . . 74.32 110.336 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -148.28 137.23 21.8 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.559 -0.746 . . . . 71.44 109.795 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.8 p -146.87 150.65 35.66 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 123.737 0.648 . . . . 65.12 110.34 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -99.58 15.43 26.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.23 -0.441 . . . . 74.04 110.79 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -82.64 165.43 20.03 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 107.975 -1.12 . . . . 73.52 107.975 171.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -69.91 150.81 46.36 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 123.333 0.396 . . . . 74.55 110.302 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.0 p -135.42 -13.71 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.941 0.4 . . . . 72.44 111.042 171.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -135.38 126.18 27.39 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.987 -0.375 . . . . 74.2 109.987 -173.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.1 105.81 7.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.537 0.523 . . . . 73.23 109.644 171.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.43 115.27 42.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 110.034 -0.358 . . . . 72.34 110.034 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' OE2' ' HD2' ' A' ' 67' ' ' ARG . 29.2 tt0 -103.8 121.15 42.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.624 -0.716 . . . . 74.51 109.785 176.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.7 t -126.86 129.07 47.52 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 114.995 -1.002 . . . . 72.15 109.013 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.4 mt -79.41 103.79 9.57 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.021 -0.733 . . . . 74.4 109.021 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -105.06 97.84 7.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.17 -1.377 . . . . 64.51 108.499 -176.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.09 -103.77 2.17 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 110.098 -1.201 . . . . 74.0 110.098 -169.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -133.23 23.41 4.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.917 0.865 . . . . 75.41 109.241 171.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -107.78 139.0 43.02 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 113.873 -1.512 . . . . 72.14 110.481 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.416 ' HD2' ' OE2' ' A' ' 60' ' ' GLU . 45.6 mtm105 -86.85 99.29 11.72 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.633 -0.877 . . . . 73.42 108.633 169.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -87.46 116.26 25.44 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.459 -0.941 . . . . 75.21 108.459 -178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -117.02 129.7 56.19 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.375 -0.83 . . . . 74.45 110.405 -171.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 17.5 m-90 -119.34 125.35 48.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.397 -0.594 . . . . 74.02 109.397 170.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 55.3 mtt180 -116.55 118.79 33.6 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.694 0.759 . . . . 73.43 111.043 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -105.77 144.2 32.85 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.217 -1.356 . . . . 75.0 109.685 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.3 p -75.86 163.18 27.47 Favored 'General case' 0 N--CA 1.443 -0.78 0 O-C-N 123.909 0.755 . . . . 73.21 109.962 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -63.41 -36.74 84.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.473 -0.785 . . . . 74.21 110.219 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.512 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -58.51 -47.69 83.3 Favored 'General case' 0 C--O 1.221 -0.414 0 O-C-N 123.934 0.771 . . . . 72.35 111.885 174.612 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.09 97.88 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.631 0.582 . . . . 75.11 112.175 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.85 -26.06 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 123.82 0.848 . . . . 64.24 112.663 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -78.93 -36.56 41.55 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 122.095 -0.378 . . . . 74.22 111.629 175.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 75' ' ' ASN . 12.0 mm-40 -77.73 -16.13 58.64 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.904 0.482 . . . . 64.43 111.375 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.91 117.26 1.99 Allowed 'General case' 0 N--CA 1.471 0.61 0 O-C-N 124.425 1.078 . . . . 74.54 113.066 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -84.03 126.72 69.41 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 114.384 -1.28 . . . . 74.21 111.153 -170.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -67.1 122.38 9.68 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 121.966 1.777 . . . . 74.4 111.616 174.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -81.46 176.17 9.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.075 -0.511 . . . . 74.23 110.245 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.77 -16.23 63.6 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.851 1.056 . . . . 73.41 113.851 -171.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -89.09 -20.52 24.21 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.663 0.385 . . . . 73.41 111.863 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.01 -12.36 64.32 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 114.176 0.43 . . . . 75.21 114.176 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -109.79 -23.29 11.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 117.295 0.547 . . . . 74.33 111.665 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.5 m -92.64 145.41 24.45 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.664 -0.495 . . . . 74.1 109.664 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.5 ' CD1' HD11 ' A' ' 10' ' ' LEU . 77.8 m95 -130.22 124.89 33.56 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.608 -0.724 . . . . 72.51 110.194 -176.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.1 ttt-85 -81.32 108.41 14.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.116 -0.698 . . . . 62.24 109.116 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 3.5 mm? -89.62 99.36 12.38 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 108.571 -0.899 . . . . 74.52 108.571 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 t -83.85 116.01 22.54 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-O 121.568 0.699 . . . . 72.4 109.145 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 59.3 p -118.6 -174.45 2.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.318 -0.855 . . . . 63.03 109.482 -177.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.34 -15.08 78.99 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.89 -0.484 . . . . 71.4 111.89 174.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -98.03 -50.31 4.44 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 122.391 0.277 . . . . 71.31 111.577 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 179.37 -160.88 26.55 Favored Glycine 0 C--O 1.224 -0.507 0 C-N-CA 121.43 -0.414 . . . . 73.21 112.564 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 91' ' ' LEU . . . -102.46 135.5 43.98 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 122.678 0.391 . . . . 73.21 110.801 -176.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -130.99 118.86 21.24 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.945 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.66 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 25.7 tt0 -84.4 101.71 12.21 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 116.251 -0.431 . . . . 74.41 111.289 -174.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.452 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 28.9 mt -92.43 110.56 21.97 Favored 'General case' 0 C--O 1.212 -0.88 0 N-CA-C 109.215 -0.661 . . . . 73.31 109.215 176.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -110.17 113.64 26.49 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.187 0.518 . . . . 75.32 109.969 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 75.6 m -83.73 122.16 28.27 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.829 -1.078 . . . . 73.42 110.878 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 114.929 -1.032 . . . . 75.4 109.63 -175.616 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 . . . . . 0 CA--C 1.504 -0.804 0 N-CA-C 108.236 -1.024 . . . . 74.1 108.236 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.483 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 90.7 m-85 -98.16 174.3 6.59 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 107.396 -1.335 . . . . 75.21 107.396 171.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.542 HD11 ' CD1' ' A' ' 89' ' ' TRP . 57.6 tp -65.31 -22.26 66.81 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 117.883 0.31 . . . . 72.15 110.851 174.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.2 tp -64.35 -41.3 96.82 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.453 0.701 . . . . 75.22 112.176 173.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -76.72 -27.05 55.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.239 0.542 . . . . 64.12 110.57 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 56.1 mm-40 -77.1 -33.29 56.99 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 115.395 -0.82 . . . . 75.23 112.654 -177.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 pp -74.31 -23.52 59.09 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.038 0.381 . . . . 74.31 111.762 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -70.71 -29.93 66.34 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.711 -0.677 . . . . 72.31 111.546 173.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.5 p -113.98 21.14 15.13 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.247 0.462 . . . . 75.34 112.247 -177.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.17 139.98 37.95 Favored 'General case' 0 CA--C 1.514 -0.434 0 O-C-N 122.281 -0.262 . . . . 74.3 110.303 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -103.35 -51.9 3.13 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.666 -0.864 . . . . 73.42 108.666 171.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.5 ttp -105.18 130.28 53.38 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.422 -0.955 . . . . 52.22 108.422 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.6 tp -122.54 120.25 33.26 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.803 -0.814 . . . . 62.51 108.803 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.507 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 28.8 tt0 -95.54 140.36 30.49 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.466 -0.788 . . . . 65.24 108.933 -175.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.509 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 14.6 tt -131.22 111.83 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-O 122.04 0.924 . . . . 74.03 111.647 174.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t70 62.8 21.9 13.07 Favored 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 124.771 1.228 . . . . 74.22 111.469 175.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.35 7.64 51.44 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 116.246 -0.434 . . . . 73.32 113.639 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.1 mt -113.45 108.19 16.86 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 117.198 0.499 . . . . 73.23 110.415 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -80.14 116.16 20.1 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.19 0.519 . . . . 75.23 110.688 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.59 135.76 37.34 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.426 -0.806 . . . . 53.32 111.279 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.9 p-90 -82.44 -21.14 35.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.379 -0.828 . . . . 74.24 109.607 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -149.32 135.65 19.21 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.874 -1.057 . . . . 75.35 108.411 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -129.61 150.76 50.79 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.598 -0.728 . . . . 73.04 109.099 171.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -112.39 143.12 44.05 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 114.885 -1.052 . . . . 74.3 109.894 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.5 mt -121.15 145.95 47.28 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.693 -0.685 . . . . 71.41 109.541 177.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -88.85 87.7 7.33 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.77 -1.196 . . . . 74.12 107.77 173.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -74.17 -20.13 60.32 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.435 -0.802 . . . . 75.32 112.674 -174.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -69.36 -43.6 73.28 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.799 0.839 . . . . 73.22 110.137 172.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.5 tp -77.9 -26.7 49.28 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.255 -0.884 . . . . 73.0 111.131 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -82.45 -19.13 39.55 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.284 -0.416 . . . . 73.54 111.811 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -71.02 -37.36 72.61 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.736 -0.839 . . . . 73.13 108.736 170.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -79.26 -24.31 43.07 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.059 -0.973 . . . . 73.43 111.576 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.28 -39.15 68.57 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.066 0.46 . . . . 62.21 111.09 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.19 -35.59 69.01 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 115.204 -0.907 . . . . 74.51 110.397 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 tt -59.84 -29.84 68.54 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.236 1.415 . . . . 71.12 112.021 173.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.14 -39.93 14.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.714 -0.221 . . . . 72.12 110.434 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.93 -33.21 75.29 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 122.815 0.446 . . . . 74.14 111.742 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.89 -22.93 52.68 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.732 -0.667 . . . . 54.51 110.532 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.54 10.39 30.51 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.064 0.546 . . . . 74.2 111.683 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 t70 72.14 16.14 5.32 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.243 1.017 . . . . 74.05 111.473 174.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -110.71 150.47 41.81 Favored Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 123.442 0.697 . . . . 71.05 110.851 -175.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -77.78 134.88 13.83 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 122.387 2.058 . . . . 71.01 111.718 170.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -95.85 134.07 39.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.523 -0.547 . . . . 75.44 109.523 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -140.86 122.09 14.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.873 -0.603 . . . . 63.2 110.072 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.7 t -142.59 145.82 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 65.31 109.779 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -101.38 9.18 41.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.611 -0.268 . . . . 71.24 111.219 175.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -79.44 159.09 27.17 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.383 -0.969 . . . . 64.22 108.383 172.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.6 p-90 -62.35 151.58 36.34 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 123.867 0.729 . . . . 75.13 110.816 -177.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.9 p -136.48 -16.39 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 120.995 0.426 . . . . 65.13 110.811 172.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 1.8 tm? -137.87 125.16 21.75 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.614 -0.513 . . . . 74.03 109.614 -171.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 70' ' ' TRP . . . -136.11 105.84 6.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.938 0.399 . . . . 74.32 111.326 174.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.553 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -100.49 124.69 54.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.947 0 CA-C-N 116.611 -0.268 . . . . 74.01 110.569 -176.233 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -108.39 118.55 37.07 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.561 -0.455 . . . . 75.14 111.149 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.1 m -122.54 136.96 55.02 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.41 -0.813 . . . . 71.42 109.59 174.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.531 ' HA ' ' O ' ' A' ' 66' ' ' THR . 9.7 mp -93.97 106.74 18.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.961 -0.563 . . . . 72.14 111.14 177.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' A' ' 66' ' ' THR . 25.0 t70 -94.3 95.88 9.2 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.335 -0.987 . . . . 70.15 108.335 168.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.57 -118.62 4.77 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 109.803 -1.319 . . . . 73.22 109.803 -166.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.0 mmt-85 -116.98 16.2 15.1 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.827 0.823 . . . . 75.41 109.465 168.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.531 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 54.0 m -76.93 100.26 5.52 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.31 -1.314 . . . . 72.5 109.671 171.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.454 ' HD2' ' H ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -93.66 97.31 10.38 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 122.138 0.971 . . . . 74.04 109.009 178.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -110.26 132.01 54.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.741 -0.663 . . . . 63.22 109.831 -174.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.553 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -111.97 134.94 53.21 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.666 0.746 . . . . 74.32 110.474 175.262 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 22.9 m-90 -103.78 122.14 44.47 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.328 -0.99 . . . . 73.45 108.328 176.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.454 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 62.0 mtm180 -113.92 114.92 26.87 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.347 0.594 . . . . 73.42 110.855 -172.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -110.61 143.24 41.33 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.405 -0.816 . . . . 53.42 110.863 -176.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.0 m -70.92 160.27 33.16 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 124.377 1.048 . . . . 74.31 111.137 176.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -61.7 -40.12 93.89 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.479 -0.782 . . . . 75.14 110.707 176.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.448 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -58.23 -42.76 87.02 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.106 0.879 . . . . 61.5 112.289 174.837 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.92 -33.0 73.85 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 124.234 0.959 . . . . 75.02 112.715 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 24.1 t -78.84 -24.5 13.09 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 122.878 0.471 . . . . 73.2 111.385 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.17 -37.47 53.71 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 122.305 -0.247 . . . . 73.25 111.354 174.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 75' ' ' ASN . 11.4 pt-20 -88.76 10.14 21.99 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.665 0.617 . . . . 74.31 112.665 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.35 124.33 19.66 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 123.733 0.645 . . . . 73.52 110.741 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.46 123.09 85.73 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.0 -1.0 . . . . 71.02 111.404 -170.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -69.85 122.85 9.49 Favored 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 122.292 1.995 . . . . 62.2 111.778 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -90.37 170.29 10.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.888 -0.596 . . . . 72.13 110.607 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.22 -5.19 53.75 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.313 -0.858 . . . . 72.34 111.179 173.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -72.49 -24.26 61.15 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.615 -0.72 . . . . 75.2 111.172 173.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.93 -14.94 29.44 Favored Glycine 0 C--N 1.342 0.881 0 N-CA-C 115.447 0.939 . . . . 73.21 115.447 175.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -127.02 -37.79 2.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.168 0.484 . . . . 74.33 110.472 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.6 m -74.17 134.13 42.78 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.042 -0.527 . . . . 74.41 110.791 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.542 ' CD1' HD11 ' A' ' 10' ' ' LEU . 63.4 m95 -115.96 147.32 41.29 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 107.65 -1.241 . . . . 74.34 107.65 172.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -103.27 114.02 27.97 Favored 'General case' 0 N--CA 1.432 -1.331 0 C-N-CA 119.668 -0.813 . . . . 75.01 110.377 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.99 99.76 12.67 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 107.269 -1.382 . . . . 75.03 107.269 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.1 t -85.65 130.88 34.46 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.109 -0.951 . . . . 74.04 109.353 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.7 p -134.89 -177.23 4.53 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.578 -0.737 . . . . 72.34 110.078 -175.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -79.67 -13.05 82.94 Favored Glycine 0 C--N 1.334 0.452 0 N-CA-C 111.634 -0.586 . . . . 61.31 111.634 170.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -81.77 -46.4 14.28 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.252 -0.648 . . . . 74.3 109.252 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.75 -110.25 0.36 Allowed Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.921 -0.581 . . . . 71.21 111.83 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -155.63 131.93 10.21 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 123.506 0.722 . . . . 73.21 110.256 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -118.66 125.09 48.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.999 -1.001 . . . . 62.53 108.45 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.509 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 42.2 tt0 -84.31 100.4 11.22 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.235 -0.586 . . . . 71.41 110.549 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.507 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 20.8 mt -93.7 107.96 19.76 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.038 -0.356 . . . . 74.24 110.038 176.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -112.63 120.48 41.72 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 121.517 0.675 . . . . 75.33 110.063 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.64 116.39 22.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.542 -1.208 . . . . 74.14 111.409 -177.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 79.6 mt . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 114.85 -1.068 . . . . 73.03 110.796 -174.581 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 . . . . . 0 N--CA 1.432 -1.361 0 N-CA-C 108.48 -0.933 . . . . 74.25 108.48 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.451 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 32.8 m-85 -73.63 169.98 16.17 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.26 -1.336 . . . . 73.43 107.513 172.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.436 HD11 ' CD1' ' A' ' 89' ' ' TRP . 56.3 tp -58.11 -26.74 63.0 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.501 0.556 . . . . 72.11 112.501 -177.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.4 -47.67 83.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.646 0.592 . . . . 62.35 112.247 174.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.05 -30.81 70.99 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.608 0.363 . . . . 74.35 110.924 176.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 18.2 mm-40 -73.02 -37.63 66.87 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 112.873 0.694 . . . . 75.45 112.873 -176.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -75.71 -21.76 57.24 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.361 0.504 . . . . 73.21 112.361 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -79.44 -29.24 41.74 Favored 'General case' 0 C--N 1.332 -0.166 0 O-C-N 123.418 0.449 . . . . 75.15 111.397 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 p -101.12 9.67 41.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 74.15 111.556 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.94 139.03 31.9 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.065 0.46 . . . . 73.04 111.105 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -93.77 -31.37 14.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.93 -1.032 . . . . 61.5 109.281 173.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.5 ttp -135.21 138.74 43.91 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 114.191 -1.368 . . . . 61.44 108.674 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.3 tp -131.84 116.05 16.72 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.116 -0.633 . . . . 72.33 110.467 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -99.5 146.07 26.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.209 -0.905 . . . . 73.21 109.573 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.8 tt -136.42 112.02 11.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-O 121.738 0.78 . . . . 73.13 111.805 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 65.04 21.39 12.25 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.116 1.366 . . . . 72.24 111.622 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.08 -23.5 35.46 Favored Glycine 0 C--N 1.346 1.117 0 CA-C-N 116.156 -0.474 . . . . 74.23 112.654 -174.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 tt -81.65 127.1 32.54 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.427 -0.953 . . . . 74.24 108.427 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -88.51 124.69 34.25 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.36 -0.382 . . . . 73.32 110.921 -174.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.42 ' HA ' ' OG ' ' A' ' 61' ' ' SER . . . -77.31 129.49 35.93 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.722 -0.672 . . . . 71.14 109.681 174.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.1 p-90 -72.52 -27.99 62.58 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 109.525 -0.546 . . . . 75.13 109.525 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.2 ptt85 -152.62 169.16 23.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.6 -0.727 . . . . 54.53 109.741 173.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -141.66 159.96 41.15 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.116 -0.698 . . . . 74.43 109.116 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -138.02 139.19 39.5 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 109.136 -0.69 . . . . 65.11 109.136 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.9 mt -120.43 143.46 48.46 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.449 -0.341 . . . . 73.14 110.989 -174.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.518 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 33.4 t-20 -86.9 90.51 8.35 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.033 -0.729 . . . . 71.22 109.033 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -74.38 -25.99 59.83 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.779 0.832 . . . . 75.51 111.875 -175.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -61.99 -45.99 91.2 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.085 0.866 . . . . 74.54 110.948 171.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.5 tp -75.82 -24.74 55.89 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.277 -0.42 . . . . 74.33 111.308 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 47.1 mt -78.36 -25.21 46.25 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.259 0.466 . . . . 75.12 112.259 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.51 -43.9 88.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.706 0.629 . . . . 71.14 110.231 170.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -74.08 -31.48 62.85 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.709 0.631 . . . . 71.54 111.341 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.408 ' HB3' ' HH ' ' A' ' 74' ' ' TYR . . . -67.99 -43.72 78.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.019 -0.991 . . . . 73.21 111.569 177.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -73.07 -33.01 65.38 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 124.037 0.836 . . . . 64.03 110.586 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.6 tt -57.31 -46.48 83.15 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.819 1.247 . . . . 73.51 110.979 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.43 -39.32 59.05 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.835 -0.621 . . . . 63.4 111.166 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.35 -28.83 67.48 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.935 0.717 . . . . 75.32 112.935 -177.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -77.7 -15.71 58.97 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 122.803 0.441 . . . . 72.4 111.336 174.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.11 6.27 49.2 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.271 -0.422 . . . . 73.51 111.252 174.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 t70 72.78 4.71 5.05 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 125.939 1.695 . . . . 74.35 111.771 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -88.99 125.89 60.94 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.376 -0.602 . . . . 71.11 109.376 -176.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -66.39 124.22 12.2 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 121.868 1.712 . . . . 70.31 112.227 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -96.21 133.02 41.04 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.74 -0.837 . . . . 72.42 108.74 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.07 117.89 8.17 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.226 -0.657 . . . . 70.33 109.226 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.2 p -138.5 142.79 39.36 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.782 -0.451 . . . . 73.53 109.782 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -95.05 13.49 24.97 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.841 -0.344 . . . . 74.42 111.927 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.17 153.66 31.85 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.161 -1.051 . . . . 63.2 108.161 170.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.425 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 8.4 p-90 -60.85 150.28 33.41 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.262 0.977 . . . . 73.15 111.074 -177.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.0 p -131.34 -23.73 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.905 0.383 . . . . 71.35 110.716 174.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.8 tp -142.34 122.29 13.63 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.061 0.458 . . . . 73.34 110.998 -173.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.82 107.48 14.18 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.337 -0.847 . . . . 73.24 109.454 172.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.35 108.55 22.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.155 -0.683 . . . . 63.3 109.155 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -100.71 128.33 46.8 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.495 -0.775 . . . . 72.14 109.736 -172.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.42 ' OG ' ' HA ' ' A' ' 27' ' ' ALA . 22.2 m -127.45 131.23 50.25 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.163 -0.926 . . . . 74.45 109.74 176.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.1 mt -96.62 106.35 18.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.532 -0.914 . . . . 74.33 108.532 172.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.406 ' O ' HG23 ' A' ' 66' ' ' THR . 30.4 t70 -104.64 97.69 7.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.815 -0.63 . . . . 62.21 109.629 -174.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.83 -96.71 1.08 Allowed Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.088 -0.96 . . . . 53.41 110.705 -170.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -136.26 21.32 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.74 0.416 . . . . 73.13 110.849 174.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 63' ' ' ASP . 6.7 t -104.45 141.74 35.82 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.235 0.541 . . . . 70.43 110.108 174.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -97.93 108.36 21.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.986 -0.746 . . . . 74.21 108.986 175.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -123.49 114.34 19.96 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-O 121.572 0.701 . . . . 73.33 110.146 177.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.75 137.32 52.28 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.764 -1.107 . . . . 70.2 109.432 175.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 21.4 m-90 -103.2 122.03 43.89 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.407 -0.96 . . . . 74.44 108.407 176.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -107.34 109.91 21.78 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.284 -0.871 . . . . 73.32 108.985 -177.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -103.95 139.79 38.62 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 115.198 -0.91 . . . . 74.41 109.604 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 37.3 p -76.02 163.23 27.35 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 124.327 1.017 . . . . 75.45 110.58 177.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.408 ' HH ' ' HB3' ' A' ' 40' ' ' ALA . 72.4 t80 -62.29 -33.25 74.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.9 -1.046 . . . . 73.12 110.116 173.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -66.98 -37.66 84.64 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 124.682 1.193 . . . . 64.23 111.524 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.44 -38.18 74.48 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.662 0.601 . . . . 73.24 111.986 177.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.3 t -71.76 -27.04 26.81 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 CA-C-N 115.583 -0.735 . . . . 64.54 111.476 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.33 -46.14 74.34 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 122.586 0.354 . . . . 63.3 111.83 174.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -90.37 6.98 40.88 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.604 0.594 . . . . 75.14 112.604 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.93 121.1 14.78 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.859 0.464 . . . . 74.31 111.169 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -78.94 128.74 75.54 Favored Pre-proline 0 N--CA 1.463 0.218 0 CA-C-N 115.308 -0.86 . . . . 74.44 112.244 -169.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -71.91 113.31 3.63 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.611 2.207 . . . . 72.32 112.003 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -74.52 159.09 32.68 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.271 -0.422 . . . . 72.14 110.359 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.2 -5.09 33.3 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.82 -0.627 . . . . 73.41 111.709 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -73.16 -24.78 60.61 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.399 1.08 . . . . 64.11 111.159 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.5 -14.34 35.91 Favored Glycine 0 C--N 1.343 0.929 0 N-CA-C 115.02 0.768 . . . . 72.45 115.02 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -116.83 -26.52 6.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.943 0.871 . . . . 64.11 110.487 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.4 m -95.58 146.02 24.78 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.336 -0.847 . . . . 75.12 111.75 -170.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.436 ' CD1' HD11 ' A' ' 10' ' ' LEU . 73.4 m95 -133.91 147.18 51.08 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.094 -0.957 . . . . 74.32 110.138 -177.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -96.57 112.24 24.06 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 116.624 -0.262 . . . . 73.31 111.545 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.26 97.42 9.14 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.01 -1.108 . . . . 72.45 108.01 168.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.24 97.78 8.25 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 122.684 1.231 . . . . 74.53 109.148 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.5 p -118.26 176.89 5.02 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.931 -1.486 . . . . 74.34 109.879 -172.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.89 -16.3 80.12 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.759 -0.537 . . . . 74.21 111.759 173.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -71.82 -43.0 66.35 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.473 0.709 . . . . 61.24 109.216 169.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.14 -174.41 34.71 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.876 -0.602 . . . . 61.13 112.019 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.25 122.72 38.23 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 123.072 0.549 . . . . 72.32 110.563 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -130.39 131.29 45.22 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.627 -0.715 . . . . 74.24 110.554 -173.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.445 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 40.5 tt0 -95.3 102.77 14.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.361 -0.381 . . . . 74.34 110.862 -177.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.2 mt -91.59 123.25 34.85 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-O 121.255 0.55 . . . . 75.53 110.511 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -125.39 118.69 26.44 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.597 -0.729 . . . . 75.22 110.043 -176.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 2.0 p -83.04 124.35 30.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.398 -1.274 . . . . 71.5 111.105 -177.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.7 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 115.639 -0.71 . . . . 75.1 109.966 -175.886 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.436 ' O ' ' HH2' ' A' ' 89' ' ' TRP . 30.9 mmm-85 . . . . . 0 N--CA 1.444 -0.749 0 CA-C-O 122.688 1.233 . . . . 74.02 112.116 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -93.4 -175.6 3.86 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 112.642 -2.072 . . . . 72.24 107.537 172.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 tp -79.38 -11.93 59.92 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 119.974 -0.69 . . . . 74.54 109.685 168.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.1 tp -68.64 -46.36 69.41 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 122.817 0.447 . . . . 64.24 111.226 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.13 -20.05 45.85 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 121.233 -0.187 . . . . 70.43 111.179 176.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -83.56 -19.17 36.09 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 113.777 1.029 . . . . 64.02 113.777 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.75 -24.85 41.27 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.627 0.649 . . . . 71.33 109.876 169.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -71.53 -40.11 70.31 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 115.309 -0.859 . . . . 70.21 111.764 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.7 p -83.89 -17.76 39.7 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 112.188 0.44 . . . . 74.23 112.188 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 119.05 7.44 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 113.269 0.841 . . . . 73.0 113.269 -174.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -86.08 -35.51 20.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.484 -0.932 . . . . 75.35 108.484 170.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.414 ' HB3' ' HB2' ' A' ' 103' ' ' LEU . 7.3 ttm -135.49 150.47 49.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.775 -1.102 . . . . 71.43 108.132 174.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.5 mt -123.72 127.08 47.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.111 0.481 . . . . 74.14 110.492 175.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.491 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 32.3 tt0 -112.03 149.02 32.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.288 -0.869 . . . . 63.13 110.587 -175.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.536 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 2.4 tt -137.49 118.45 17.3 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 CA-C-O 121.84 0.829 . . . . 73.11 111.085 175.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 62.86 26.48 15.59 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.26 1.424 . . . . 74.21 112.864 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.67 8.55 65.45 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 121.539 -0.362 . . . . 73.33 112.849 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 tt -125.83 110.69 13.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.082 -1.081 . . . . 74.22 108.082 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 4.1 p-80 -89.3 140.22 29.71 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.772 1.027 . . . . 74.03 113.772 -174.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.89 146.82 29.62 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 113.713 -1.585 . . . . 72.53 110.741 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 47.3 p-90 -84.45 -26.1 28.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.789 -0.641 . . . . 73.55 110.454 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -142.08 136.41 30.11 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.964 -0.562 . . . . 65.05 109.571 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -134.76 158.76 43.33 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.023 -0.99 . . . . 73.11 109.787 171.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -129.33 145.91 51.3 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.621 0.576 . . . . 71.31 109.765 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.0 mt -115.76 143.63 45.12 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.158 -1.053 . . . . 75.41 108.158 176.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.53 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 45.9 t-20 -85.73 92.07 8.49 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.617 -0.883 . . . . 74.5 108.617 176.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -72.58 -26.28 61.65 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.874 0.734 . . . . 73.33 112.054 -176.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -66.6 -39.27 88.31 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 123.996 0.81 . . . . 73.22 110.84 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.5 tp -81.32 -25.49 36.4 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.963 -0.562 . . . . 72.54 111.011 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 81.3 mt -78.31 -23.62 47.0 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.304 0.377 . . . . 74.31 111.655 176.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 27.4 t70 -65.18 -41.96 94.08 Favored 'General case' 0 C--O 1.223 -0.296 0 O-C-N 124.218 0.949 . . . . 63.25 110.002 171.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -79.12 -28.08 42.9 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 124.201 0.938 . . . . 74.52 111.4 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.83 -36.96 70.37 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.49 0.494 . . . . 74.23 111.014 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 36.3 t70 -79.95 -31.05 39.96 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.341 -0.845 . . . . 64.24 110.197 178.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 38' ' ' ASP . 3.6 tt -61.9 -42.7 99.39 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.968 0.907 . . . . 73.52 109.854 173.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.65 81.27 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 115.25 -0.886 . . . . 75.33 111.482 176.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.32 83.72 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 111.962 0.356 . . . . 72.01 111.962 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 41' ' ' ASP . 50.2 mt-10 -70.68 -27.33 63.94 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.902 0.481 . . . . 74.13 111.921 175.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.33 5.52 51.28 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.815 0.446 . . . . 62.52 112.026 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 t70 61.44 35.14 17.83 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 122.783 1.277 . . . . 75.44 111.126 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -106.32 136.73 19.32 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.106 -0.952 . . . . 74.12 109.569 177.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -72.8 124.61 9.84 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.14 1.893 . . . . 65.05 111.148 171.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -105.49 114.44 28.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 75.05 110.75 -174.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -128.57 118.61 23.29 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.795 -0.639 . . . . 54.24 109.972 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 p -134.89 146.04 48.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.099 0.476 . . . . 71.34 111.222 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -98.18 10.44 40.55 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.48 -0.782 . . . . 64.45 111.543 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -79.29 166.54 22.02 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.676 -0.861 . . . . 54.14 108.676 174.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.1 p-90 -70.52 152.31 44.13 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 109.964 -0.384 . . . . 75.25 109.964 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.71 -20.88 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-O 121.128 0.49 . . . . 73.03 111.086 170.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.47 125.12 28.29 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.173 -0.677 . . . . 75.11 109.173 -173.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.48 108.4 9.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.823 0.344 . . . . 64.25 110.896 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -106.45 131.33 56.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.258 -0.645 . . . . 75.21 109.258 177.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -132.05 132.6 43.51 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.6 0.714 . . . . 74.2 110.534 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.3 t -132.4 157.11 45.37 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.387 -0.824 . . . . 72.22 111.009 -174.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.0 mt -103.68 108.85 20.32 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.618 -0.719 . . . . 72.22 110.302 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -110.81 100.43 9.17 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.965 0.888 . . . . 75.41 110.137 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.97 -99.49 2.23 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.398 -0.819 . . . . 62.41 111.332 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -128.88 10.05 5.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.904 0.859 . . . . 75.33 109.471 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -100.31 139.05 36.54 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.66 -1.155 . . . . 73.53 110.732 -173.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -108.53 103.51 12.64 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.804 -0.634 . . . . 73.3 109.323 174.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.4 ttm105 -109.4 125.56 52.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.995 -0.548 . . . . 74.43 110.772 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -116.5 134.58 54.69 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.68 -0.691 . . . . 61.0 111.046 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 16.5 m-90 -111.35 124.25 51.86 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.716 -1.129 . . . . 75.34 108.545 173.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -117.34 122.92 45.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.434 0.635 . . . . 72.4 110.401 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -114.97 141.8 47.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.871 -1.058 . . . . 73.02 110.688 -174.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 55.7 m -76.8 165.58 24.51 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 124.401 1.063 . . . . 73.52 110.676 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -68.06 -34.15 75.9 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.875 -0.602 . . . . 74.01 111.012 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -39.68 88.9 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 124.007 0.817 . . . . 74.41 111.784 173.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.8 -31.57 69.55 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.741 0.651 . . . . 74.44 112.022 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.6 t -82.69 -23.81 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-O 121.02 0.438 . . . . 75.43 111.28 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 24.1 mmt -75.82 -36.6 59.62 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.461 -0.336 . . . . 74.23 110.955 174.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -85.62 2.88 43.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 123.613 0.57 . . . . 73.02 112.238 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.03 114.16 2.7 Favored 'General case' 0 C--O 1.242 0.693 0 O-C-N 123.803 0.689 . . . . 74.43 111.023 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -87.11 131.99 42.97 Favored Pre-proline 0 CA--C 1.512 -0.515 0 CA-C-N 114.956 -1.02 . . . . 63.35 110.5 -172.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -64.5 134.7 42.53 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.227 1.951 . . . . 75.1 111.472 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -101.36 160.88 14.04 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 108.446 -0.946 . . . . 74.34 108.446 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.73 -5.76 45.09 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.026 0.441 . . . . 74.53 111.504 176.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -73.75 -24.69 59.92 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.89 0.876 . . . . 73.41 110.95 172.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.39 -14.31 23.51 Favored Glycine 0 C--N 1.344 1.021 0 N-CA-C 115.137 0.815 . . . . 74.2 115.137 175.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -116.83 -40.11 3.19 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 117.436 0.618 . . . . 75.15 110.365 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.5 m -80.57 147.04 30.95 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.892 -0.594 . . . . 54.25 111.325 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.436 ' HH2' ' O ' ' A' ' 8' ' ' ARG . 83.9 m95 -130.66 144.15 51.23 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.513 -0.767 . . . . 74.53 109.238 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.3 ttt180 -88.07 97.23 10.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.48 0.657 . . . . 73.33 109.865 177.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.8 99.38 12.43 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.555 -1.202 . . . . 73.42 108.426 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 p -92.8 130.34 38.44 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.324 0.583 . . . . 73.22 110.356 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.2 p -129.52 -178.51 4.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.916 -1.038 . . . . 72.03 110.716 -176.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.49 -5.46 89.84 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 115.7 -0.682 . . . . 73.21 111.672 169.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -92.76 -13.29 29.46 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.291 0.636 . . . . 74.31 110.675 175.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 137.21 -112.09 0.9 Allowed Glycine 0 C--N 1.34 0.757 0 N-CA-C 111.23 -0.748 . . . . 73.52 111.23 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -157.67 147.04 19.91 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.872 0.469 . . . . 43.33 109.857 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -133.22 147.81 52.0 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.328 -0.99 . . . . 75.22 108.328 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.536 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 13.2 tt0 -94.38 100.09 12.18 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.415 -0.587 . . . . 75.14 109.415 176.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.57 109.95 21.56 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.782 -0.822 . . . . 74.25 108.782 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -110.27 120.7 43.29 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.691 -0.686 . . . . 74.33 109.34 -175.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 3.8 p -82.78 120.31 25.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.364 0.602 . . . . 73.14 110.563 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 20.7 mt . . . . . 0 CA--C 1.511 -0.556 0 CA-C-N 115.208 -0.905 . . . . 74.24 111.126 -174.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.3 mtm105 . . . . . 0 CA--C 1.513 -0.457 0 CA-C-O 121.121 0.486 . . . . 74.13 109.86 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.425 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 72.3 m-85 -74.07 168.54 19.33 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.057 -1.09 . . . . 72.35 108.057 168.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.498 HD11 ' CD1' ' A' ' 89' ' ' TRP . 56.6 tp -62.42 -25.97 68.24 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 118.142 0.428 . . . . 75.4 111.271 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.0 -49.51 75.77 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.609 -0.723 . . . . 74.52 111.163 171.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -63.8 -33.64 76.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.627 0.771 . . . . 73.3 111.338 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 15.9 mm-40 -66.28 -45.83 79.1 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 114.762 -1.108 . . . . 74.34 112.379 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 pp -74.53 -22.02 59.24 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.98 0.733 . . . . 73.15 112.98 -174.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.84 -21.87 59.03 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.542 0.526 . . . . 74.2 112.247 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.0 p -117.06 17.21 14.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.787 0.327 . . . . 71.41 111.558 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.62 155.75 19.04 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.263 0.554 . . . . 74.14 112.031 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -123.12 -46.91 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.164 -0.925 . . . . 53.23 108.916 174.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.48 ' HG3' ' HB2' ' A' ' 103' ' ' LEU . 4.3 ptm -121.15 129.9 53.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.199 -0.91 . . . . 74.21 110.103 179.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.03 152.53 35.34 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.48 -0.488 . . . . 73.41 110.195 -178.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -129.05 148.51 51.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 75.45 110.612 177.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.432 HG22 HD11 ' A' ' 22' ' ' ILE . 13.6 mt -124.58 98.03 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 114.818 -1.083 . . . . 71.22 108.967 170.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 t70 58.56 36.47 25.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.535 1.134 . . . . 62.04 111.289 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.69 -22.78 35.84 Favored Glycine 0 CA--C 1.524 0.608 0 CA-C-N 115.734 -0.666 . . . . 72.11 113.486 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 tt -77.68 113.93 16.02 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 107.693 -1.225 . . . . 73.55 107.693 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -65.96 121.83 15.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.649 -0.705 . . . . 73.31 111.192 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.446 ' HA ' ' OG ' ' A' ' 61' ' ' SER . . . -83.2 112.32 19.75 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.972 -1.122 . . . . 73.23 107.972 168.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -75.44 -21.68 57.95 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.929 0.395 . . . . 73.54 111.286 -171.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -146.58 152.73 39.41 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 109.09 -0.707 . . . . 62.31 109.09 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -143.56 158.78 43.39 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.174 0.511 . . . . 75.45 109.843 167.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -135.22 140.32 45.18 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.573 -0.899 . . . . 75.33 108.573 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.2 mt -111.7 149.62 31.35 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.767 -0.651 . . . . 75.13 109.877 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.506 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.6 t-20 -82.86 89.95 6.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.014 -1.106 . . . . 75.23 108.014 172.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -71.37 -28.43 64.04 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.0 0.92 . . . . 75.51 111.503 -173.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -65.11 -42.21 94.19 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 124.222 0.951 . . . . 74.21 110.59 175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.1 tp -77.81 -26.22 49.42 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.086 0.554 . . . . 71.53 111.225 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 67.4 mt -81.86 -23.71 36.2 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.231 -0.441 . . . . 74.13 111.764 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -65.8 -40.11 91.59 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 108.996 -0.742 . . . . 63.24 108.996 171.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -73.21 -28.1 61.99 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 114.83 -1.077 . . . . 75.03 111.409 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.77 -17.64 57.3 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.777 0.323 . . . . 75.43 111.424 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -89.59 -41.52 11.94 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.042 -1.095 . . . . 72.21 108.042 -175.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.6 mt -61.82 -38.44 88.16 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 112.701 -2.045 . . . . 74.44 111.853 170.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.42 -38.91 78.1 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.056 -0.52 . . . . 75.31 111.407 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.46 -35.57 80.89 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.39 0.431 . . . . 70.12 111.677 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -74.81 -23.32 58.46 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 115.686 -0.688 . . . . 64.13 112.112 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.94 4.96 53.03 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.549 0.339 . . . . 74.33 111.852 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.8 t70 69.56 21.38 6.74 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.455 1.502 . . . . 72.11 112.061 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -103.38 120.04 53.12 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 115.811 -0.632 . . . . 73.15 109.886 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.58 125.22 15.66 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.17 1.914 . . . . 75.24 110.272 167.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -92.72 128.11 38.47 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.73 -0.47 . . . . 72.13 109.73 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.25 120.15 18.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.736 -0.666 . . . . 74.23 109.61 176.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.2 t -131.32 145.81 52.02 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.741 -0.663 . . . . 72.42 109.681 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -102.29 15.85 27.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.875 0.369 . . . . 73.24 110.866 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.79 -176.98 6.46 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.8 -0.815 . . . . 62.52 108.8 173.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -81.54 156.22 25.35 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 109.627 -0.508 . . . . 74.1 109.627 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 p -137.91 -26.75 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 120.378 -0.529 . . . . 75.24 111.855 172.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -138.49 113.78 9.5 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.39 0.614 . . . . 73.2 110.149 -169.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.27 105.86 13.03 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.153 -0.93 . . . . 65.34 109.245 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.96 120.97 52.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.351 -0.841 . . . . 74.41 110.619 -176.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -107.67 132.36 53.42 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.341 -0.845 . . . . 62.31 109.851 -178.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.446 ' OG ' ' HA ' ' A' ' 27' ' ' ALA . 20.0 m -127.09 144.37 51.05 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.328 -0.851 . . . . 71.51 109.813 176.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -101.44 105.25 16.24 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.918 0.866 . . . . 74.32 108.88 172.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.517 ' O ' ' HB ' ' A' ' 66' ' ' THR . 33.7 t70 -105.64 97.75 7.54 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.213 -1.358 . . . . 74.52 110.246 -170.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.78 -100.69 2.1 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.473 -1.051 . . . . 73.33 110.473 -174.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -132.4 27.93 4.39 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 122.135 0.969 . . . . 72.51 109.152 166.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.517 ' HB ' ' O ' ' A' ' 63' ' ' ASP . 5.4 m -109.58 135.52 50.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.098 -1.41 . . . . 71.51 110.27 -176.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -98.89 102.84 14.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.239 -0.652 . . . . 75.34 109.239 176.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -119.2 128.49 54.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.414 -0.812 . . . . 75.12 110.861 -172.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.69 149.28 50.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.454 0.645 . . . . 71.2 111.878 -177.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 -122.98 127.36 48.73 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.206 -0.907 . . . . 74.43 109.083 175.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -107.96 116.05 31.24 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.622 -0.51 . . . . 74.12 109.622 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -103.83 141.57 35.89 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.987 -0.745 . . . . 71.24 108.987 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.9 m -75.98 161.97 28.47 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.184 -0.916 . . . . 72.13 110.723 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.414 ' O ' ' HG2' ' A' ' 78' ' ' MET . 43.7 t80 -60.69 -40.67 93.06 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.0 -1.0 . . . . 74.23 109.923 174.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -46.33 90.57 Favored 'General case' 0 C--O 1.221 -0.439 0 O-C-N 124.206 0.941 . . . . 63.43 112.064 177.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.75 -44.12 97.52 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 124.146 0.904 . . . . 75.25 111.965 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.7 t -62.83 -36.37 75.22 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 124.01 0.924 . . . . 75.12 112.681 177.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' A' ' 74' ' ' TYR . 98.3 mmm -76.36 -35.98 58.42 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.377 0.51 . . . . 73.52 112.377 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -92.58 6.13 48.4 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 111.911 0.337 . . . . 72.12 111.911 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.56 128.53 36.44 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.668 -0.696 . . . . 75.43 110.569 174.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.0 123.95 86.14 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.111 -0.95 . . . . 71.45 111.522 -170.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -69.4 118.94 5.99 Favored 'Trans proline' 0 C--N 1.358 1.067 0 C-N-CA 122.24 1.96 . . . . 75.15 111.505 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -79.51 161.61 25.92 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.652 -0.869 . . . . 73.12 108.652 177.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.65 -13.52 62.35 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.262 0.467 . . . . 73.42 112.262 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -67.08 -25.37 66.2 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.473 1.109 . . . . 71.03 111.214 172.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.65 -12.93 31.91 Favored Glycine 0 C--N 1.345 1.05 0 N-CA-C 114.923 0.729 . . . . 60.24 114.923 174.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -117.97 -27.68 6.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.156 0.478 . . . . 74.34 110.874 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.3 m -92.55 147.12 23.14 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.021 -0.536 . . . . 73.01 110.579 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.498 ' CD1' HD11 ' A' ' 10' ' ' LEU . 74.7 m95 -131.23 137.06 48.75 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.475 -0.784 . . . . 74.24 109.917 -176.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.441 ' CZ ' ' HB ' ' A' ' 92' ' ' THR . 4.0 tmt_? -95.62 108.11 20.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.512 0.673 . . . . 72.4 109.445 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.526 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 4.2 mm? -91.99 120.15 32.38 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 114.603 -1.181 . . . . 75.04 108.893 177.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.441 ' HB ' ' CZ ' ' A' ' 90' ' ' ARG . 5.2 t -115.26 99.39 7.37 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 123.145 1.45 . . . . 75.22 110.922 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.8 p -115.17 -179.52 3.65 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.987 -1.46 . . . . 74.14 110.294 -170.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.08 -14.54 82.17 Favored Glycine 0 C--N 1.342 0.885 0 N-CA-C 111.479 -0.649 . . . . 73.31 111.479 175.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -78.91 -50.2 11.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.518 -0.549 . . . . 75.43 109.518 169.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.09 -159.31 30.26 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-N 115.908 -0.587 . . . . 44.55 112.981 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.526 ' HA ' ' O ' ' A' ' 91' ' ' LEU . . . -94.26 122.76 37.13 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.888 -0.656 . . . . 65.22 110.842 -178.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -124.87 135.83 53.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.07 -0.968 . . . . 72.02 109.691 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 11.5 tt0 -96.68 103.39 15.3 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.583 -0.447 . . . . 74.34 109.96 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.1 mt -91.95 112.23 24.08 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.444 -0.576 . . . . 73.33 109.444 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -117.41 111.82 19.84 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.384 -0.599 . . . . 75.14 109.384 173.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 79.7 m -83.67 111.95 19.6 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.847 -1.07 . . . . 55.04 110.696 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.48 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 79.2 mt . . . . . 0 C--N 1.31 -1.119 0 CA-C-N 114.423 -1.262 . . . . 71.25 108.976 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.411 ' HB3' ' OE2' ' A' ' 13' ' ' GLU . 61.7 mtp180 . . . . . 0 C--O 1.218 -0.577 0 N-CA-C 109.277 -0.638 . . . . 74.14 109.277 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.459 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 54.5 m-85 -73.88 157.27 36.6 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.043 -0.981 . . . . 74.43 109.299 176.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.503 HD11 ' CD1' ' A' ' 89' ' ' TRP . 50.1 tp -67.05 -25.9 66.48 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.354 0.525 . . . . 75.55 110.741 176.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.4 tp -62.5 -41.12 98.61 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.033 0.444 . . . . 71.05 110.929 170.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.13 -29.72 60.62 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.8 -0.636 . . . . 73.43 110.671 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 77.6 mm-40 -67.03 -49.02 66.58 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 123.032 0.533 . . . . 63.4 111.949 178.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.63 -22.75 65.32 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.655 0.613 . . . . 74.53 112.655 -173.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -70.22 -18.21 63.16 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.578 0.751 . . . . 72.4 112.158 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -128.32 11.16 6.35 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.332 0.494 . . . . 74.04 112.332 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.55 135.55 44.93 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.738 -0.21 . . . . 74.52 110.602 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -98.24 -27.07 14.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.614 0.721 . . . . 74.32 109.739 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 33.0 ttp -131.75 143.6 50.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.98 -1.009 . . . . 73.51 109.955 -170.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mt -134.95 155.2 51.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.443 -0.577 . . . . 72.24 109.443 176.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -133.05 152.05 51.99 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.252 -1.018 . . . . 74.14 108.252 171.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.641 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 7.1 tt -131.63 115.95 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-O 122.174 0.987 . . . . 75.33 111.578 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 60.63 23.0 12.8 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.39 1.476 . . . . 72.33 112.274 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.85 -11.53 66.16 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 116.486 -0.325 . . . . 74.02 113.248 -177.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 tt -89.15 122.33 32.34 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 107.938 -1.134 . . . . 73.43 107.938 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -74.72 124.06 26.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.805 -0.634 . . . . 70.02 112.157 -171.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.94 128.89 38.96 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.88 -0.6 . . . . 73.32 109.696 171.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.6 p-90 -88.67 -25.14 22.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.232 0.539 . . . . 73.21 110.484 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -142.63 138.36 30.65 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.879 -0.601 . . . . 75.01 110.031 -175.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -135.47 152.55 51.46 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.31 0.576 . . . . 75.34 110.547 168.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -111.35 140.98 45.48 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.938 -1.028 . . . . 73.41 109.404 -176.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 mt -113.81 135.69 53.68 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.91 -0.586 . . . . 74.11 109.846 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -78.36 89.02 4.36 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 108.698 -0.853 . . . . 65.15 108.698 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.77 -21.98 56.88 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 122.448 0.299 . . . . 74.11 111.53 -172.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -64.87 -46.77 80.43 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.277 0.631 . . . . 73.44 110.567 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 tp -80.51 -28.76 37.36 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.579 -0.737 . . . . 75.41 111.425 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.6 mt -77.1 -25.23 51.98 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.726 0.41 . . . . 74.22 112.016 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.27 -37.47 83.49 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 109.827 -0.434 . . . . 72.33 109.827 173.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -79.61 -25.53 41.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.846 -0.615 . . . . 74.35 112.072 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.18 -42.02 69.57 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.026 -0.534 . . . . 73.31 111.075 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.72 -29.19 40.59 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.969 -0.559 . . . . 74.22 110.336 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.0 tt -56.87 -46.73 81.64 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.012 0.925 . . . . 75.15 110.711 171.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.51 -41.15 69.57 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.31 -0.859 . . . . 71.33 110.966 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.93 77.07 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.654 0.613 . . . . 74.3 112.654 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.24 -18.06 61.85 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 122.725 0.41 . . . . 71.12 111.692 175.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.76 8.89 43.9 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 111.656 0.243 . . . . 74.25 111.656 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 63.77 34.78 11.72 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.067 1.347 . . . . 54.13 111.219 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -113.26 123.69 32.91 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.323 -0.853 . . . . 74.25 109.478 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -68.49 123.28 10.33 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 121.906 1.737 . . . . 71.34 111.796 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -94.84 132.44 39.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.326 -0.62 . . . . 74.45 109.326 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.21 121.55 13.98 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.995 -0.548 . . . . 74.32 110.656 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.9 t -139.42 145.4 38.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.274 -0.876 . . . . 74.23 110.059 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -102.37 12.98 35.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 73.33 110.917 174.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -79.41 170.65 16.28 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 108.187 -1.042 . . . . 72.43 108.187 172.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.0 p-90 -73.71 156.2 38.15 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.145 0.497 . . . . 72.53 109.671 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 p -140.68 -22.16 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 121.129 0.49 . . . . 74.44 111.733 172.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -133.87 126.25 30.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.106 -0.702 . . . . 74.51 109.106 -172.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 70' ' ' TRP . . . -130.54 106.49 8.55 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 120.548 0.214 . . . . 75.53 111.214 173.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -100.4 118.69 47.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-O 120.716 0.293 . . . . 74.02 110.894 -176.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -101.13 119.5 38.83 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.514 -0.551 . . . . 75.15 109.514 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.6 m -124.72 142.6 51.28 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.17 -0.923 . . . . 74.44 109.576 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.482 ' HA ' ' O ' ' A' ' 66' ' ' THR . 9.6 mp -95.99 117.44 30.67 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.119 0.485 . . . . 75.24 110.143 176.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.406 ' O ' ' HB ' ' A' ' 66' ' ' THR . 6.2 p-10 -106.65 99.86 9.41 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-O 122.332 1.063 . . . . 65.33 108.843 172.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.38 -107.0 2.77 Favored Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 110.466 -1.054 . . . . 74.41 110.466 -169.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -123.36 8.43 9.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.691 0.758 . . . . 74.03 109.147 170.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.482 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 11.5 m -86.18 127.1 34.67 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 114.696 -1.138 . . . . 61.31 110.783 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -92.78 99.83 12.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.351 0.596 . . . . 72.32 110.275 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -98.99 118.19 35.21 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.732 -1.122 . . . . 72.54 109.365 -175.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -116.74 140.75 49.06 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.138 -0.625 . . . . 74.43 111.422 179.28 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.412 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 19.6 m-90 -115.45 123.16 47.89 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.862 -0.792 . . . . 74.3 108.862 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -108.68 117.59 34.57 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.876 -0.416 . . . . 74.0 109.876 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -107.76 146.81 31.67 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.318 -0.855 . . . . 75.24 111.288 -174.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 m -72.36 158.97 34.79 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.266 0.979 . . . . 71.11 110.731 177.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -62.59 -44.73 95.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.698 -0.683 . . . . 74.4 111.556 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -64.25 -31.21 72.33 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.652 0.612 . . . . 74.14 112.652 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.04 -33.88 75.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.973 0.509 . . . . 64.34 111.884 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.0 t -76.7 -30.47 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.342 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.2 mmt -66.75 -37.02 83.82 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.499 0.555 . . . . 75.45 112.499 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -92.27 7.26 43.53 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.47 0.545 . . . . 74.02 112.47 -176.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 90' ' ' ARG . . . -59.13 124.55 20.32 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.531 0.567 . . . . 74.21 112.531 177.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -92.06 135.05 27.64 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 115.47 -0.786 . . . . 74.12 111.593 -174.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -70.48 120.72 7.34 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.249 1.966 . . . . 71.11 112.548 175.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -80.55 173.38 12.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.391 -0.822 . . . . 75.53 109.877 176.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.27 -12.23 60.24 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 121.021 0.439 . . . . 74.5 111.836 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.65 -22.54 62.49 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.789 0.836 . . . . 73.15 111.122 171.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.73 -16.46 14.74 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 114.602 0.601 . . . . 71.04 114.602 174.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -122.6 -6.66 8.63 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 117.715 0.758 . . . . 71.03 110.24 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.7 m -96.66 144.99 26.17 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.96 -0.563 . . . . 75.3 110.139 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.503 ' CD1' HD11 ' A' ' 10' ' ' LEU . 43.5 m95 -131.92 146.54 52.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.473 -0.785 . . . . 74.02 110.341 -174.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.462 ' O ' ' HA ' ' A' ' 80' ' ' ALA . 80.0 mtt180 -91.45 108.65 20.04 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.898 -0.408 . . . . 73.52 109.898 170.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.31 99.61 12.57 Favored 'General case' 0 N--CA 1.438 -1.062 0 N-CA-C 107.205 -1.406 . . . . 73.34 107.205 176.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.6 p -95.59 114.35 26.09 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.595 -1.184 . . . . 74.24 110.777 -170.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.1 p -118.56 -173.87 2.56 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.015 -0.993 . . . . 75.55 109.975 -176.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.04 -22.34 78.02 Favored Glycine 0 CA--C 1.523 0.563 0 CA-C-N 116.087 -0.506 . . . . 64.31 112.115 171.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -73.77 -38.84 64.55 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.125 0.57 . . . . 72.22 110.397 175.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.15 -112.09 0.51 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.04 -0.6 . . . . 72.43 112.521 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.12 138.29 18.33 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.044 -0.354 . . . . 70.54 110.044 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -131.27 130.89 43.4 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 123.734 0.814 . . . . 74.11 109.352 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.641 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 18.7 tt0 -85.62 102.1 13.27 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 120.694 -0.402 . . . . 72.31 111.558 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.8 mt -93.23 123.21 36.35 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 109.292 -0.633 . . . . 75.41 109.292 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -117.17 121.19 40.54 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.091 0.472 . . . . 73.24 110.117 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.0 p -82.92 127.52 33.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.011 -0.995 . . . . 72.14 110.934 -175.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 57.7 mt . . . . . 0 C--N 1.322 -0.605 0 N-CA-C 108.485 -0.932 . . . . 75.31 108.485 -178.887 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 . . . . . 0 N--CA 1.439 -1.015 0 N-CA-C 108.895 -0.78 . . . . 75.31 108.895 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.522 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 79.0 m-85 -89.93 173.47 8.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.352 -1.294 . . . . 74.15 108.231 171.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.52 HD11 ' CD1' ' A' ' 89' ' ' TRP . 51.4 tp -61.0 -32.66 72.23 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.348 0.405 . . . . 75.02 111.061 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.6 tp -55.53 -47.75 75.79 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 124.381 1.051 . . . . 71.23 111.987 173.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -77.28 -24.1 51.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.938 -0.574 . . . . 61.51 110.955 -177.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 46.6 mm-40 -75.36 -37.57 60.56 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 115.733 -0.667 . . . . 74.11 112.555 -178.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.71 -24.75 61.85 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.916 0.388 . . . . 74.31 111.912 -178.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -80.71 -19.46 45.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.3 -0.864 . . . . 72.34 112.163 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.9 p -113.48 10.98 18.3 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.638 0.256 . . . . 74.4 111.679 -178.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.02 154.43 18.4 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.305 -0.407 . . . . 71.23 111.666 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -102.04 -34.29 9.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.111 -0.495 . . . . 65.21 109.85 174.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 46.2 mtm -131.69 163.63 27.71 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.803 -0.635 . . . . 52.35 109.545 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.36 129.95 45.44 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.512 -0.921 . . . . 75.15 108.512 172.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -117.69 130.34 56.28 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.548 -0.908 . . . . 70.14 108.548 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.544 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.3 tt -124.62 113.28 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 CA-C-O 121.937 0.875 . . . . 70.13 111.998 -172.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 t70 61.03 27.11 17.0 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 114.389 -1.278 . . . . 73.54 111.796 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.11 0.21 63.69 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.729 -0.669 . . . . 51.51 113.183 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.3 tp -111.64 115.69 29.55 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.751 -0.462 . . . . 73.31 109.751 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -68.11 116.84 9.19 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.025 -0.534 . . . . 75.52 110.967 -177.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.82 125.28 29.1 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 108.092 -1.077 . . . . 64.44 108.092 168.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -21.16 58.51 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 123.597 0.561 . . . . 72.5 111.755 -172.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -158.74 173.27 16.81 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.092 -0.707 . . . . 73.21 109.092 169.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -147.42 161.24 41.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.534 -0.757 . . . . 74.42 110.667 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' HB2' ' HB2' ' A' ' 58' ' ' ALA . 5.9 mm-40 -127.36 138.8 53.11 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 115.804 -0.635 . . . . 74.31 109.599 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.0 mt -118.81 136.88 53.76 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.057 -0.974 . . . . 71.42 109.478 -177.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.546 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 55.6 t30 -85.63 89.1 7.64 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.734 -0.469 . . . . 75.42 109.734 177.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -68.6 -30.12 68.79 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.723 -1.126 . . . . 75.32 112.541 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -57.58 -43.49 84.62 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 124.219 0.95 . . . . 73.13 111.302 173.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.4 tp -81.7 -23.86 36.55 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.063 -0.517 . . . . 75.52 110.985 -178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 38.5 mt -76.37 -27.06 56.25 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.246 -0.434 . . . . 64.3 111.337 177.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.19 -47.4 77.07 Favored 'General case' 0 C--O 1.221 -0.441 0 O-C-N 123.832 0.708 . . . . 63.1 109.756 172.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -69.66 -28.69 66.09 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 124.117 0.885 . . . . 75.24 111.538 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.45 -48.12 70.98 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.818 0.699 . . . . 53.23 111.802 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.21 -29.59 61.8 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.989 -0.551 . . . . 71.1 111.237 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 tt -60.9 -47.94 84.11 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.46 1.104 . . . . 75.43 110.548 174.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.8 -34.58 64.69 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.984 -0.553 . . . . 75.31 111.267 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.54 -33.41 75.84 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.863 0.363 . . . . 74.41 111.787 178.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -80.12 -5.0 55.2 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.873 -0.603 . . . . 74.5 112.265 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.28 9.99 35.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.635 -0.257 . . . . 74.32 110.695 171.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 t70 71.58 12.47 6.44 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 124.701 1.2 . . . . 63.35 111.388 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -101.67 122.45 47.62 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.624 -0.716 . . . . 75.4 110.164 -174.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -63.79 125.05 14.64 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.789 2.326 . . . . 71.42 112.529 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -98.9 126.46 44.58 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.66 -0.7 . . . . 74.13 109.675 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -142.67 119.48 11.2 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.283 -0.636 . . . . 75.31 109.283 173.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.1 t -128.31 140.25 51.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.737 -0.665 . . . . 64.3 109.754 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -94.63 17.22 13.75 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 120.843 0.354 . . . . 65.4 111.145 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -85.21 168.62 14.6 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 107.882 -1.155 . . . . 74.1 107.882 167.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -73.6 156.22 38.28 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.887 0.375 . . . . 71.13 110.74 -175.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.36 -27.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.359 -0.382 . . . . 74.41 111.304 171.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.73 131.01 51.44 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.569 0.7 . . . . 75.41 111.622 -171.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.402 ' HB2' ' HB2' ' A' ' 31' ' ' GLU . . . -131.54 102.74 6.05 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 114.443 -1.253 . . . . 55.04 109.657 169.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.422 HG21 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -102.92 137.06 32.51 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 107.546 -1.279 . . . . 75.03 107.546 176.457 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -134.4 148.47 50.66 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.772 -0.371 . . . . 73.42 110.536 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.5 t -145.3 121.56 10.88 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.217 -0.901 . . . . 74.35 109.44 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.7 mt -94.9 105.83 17.78 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.068 -1.086 . . . . 74.25 108.068 166.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.455 ' O ' HG23 ' A' ' 66' ' ' THR . 18.1 t70 -97.78 96.17 8.05 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 108.461 -0.94 . . . . 75.04 108.461 -178.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.74 -98.01 1.14 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.575 -1.01 . . . . 72.34 110.575 -169.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -129.83 4.34 4.96 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.251 0.22 . . . . 73.42 111.067 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 63' ' ' ASP . 11.7 t -90.83 149.41 21.97 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 110.22 -0.289 . . . . 74.42 110.22 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.82 131.82 54.71 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.503 0.668 . . . . 74.34 111.177 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -131.65 117.12 18.25 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.925 -1.034 . . . . 73.45 109.335 175.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -127.56 133.56 49.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.315 -0.624 . . . . 74.14 109.315 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.422 ' HB2' HG21 ' A' ' 59' ' ' VAL . 8.4 m-90 -117.12 123.32 46.48 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 108.612 -0.885 . . . . 73.42 108.612 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -109.65 116.85 32.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.608 -0.724 . . . . 75.43 109.845 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -114.63 142.98 45.75 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.994 -0.548 . . . . 75.51 110.452 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.3 p -82.06 163.69 21.89 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 124.191 0.932 . . . . 74.13 109.942 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -66.49 -32.28 73.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.923 -0.58 . . . . 75.22 110.528 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -67.33 -35.13 78.78 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 115.042 -0.981 . . . . 74.45 110.735 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.73 63.75 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 123.687 0.617 . . . . 72.34 112.119 177.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.5 t -70.76 -26.19 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.254 0.622 . . . . 74.05 110.942 173.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.4 mmt -74.21 -26.34 60.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.088 -0.506 . . . . 72.33 111.599 171.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.54 11.01 32.42 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.167 0.587 . . . . 74.14 111.631 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.35 117.62 17.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.869 -0.605 . . . . 75.13 110.858 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -80.95 128.33 71.64 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 114.479 -1.237 . . . . 72.42 110.163 -175.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -66.37 121.83 9.19 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 121.661 1.574 . . . . 74.14 111.692 173.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -86.78 168.16 13.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.012 -0.54 . . . . 73.53 110.123 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.53 -16.08 62.32 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.485 0.55 . . . . 65.52 112.485 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.66 -23.82 62.58 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.466 0.706 . . . . 65.32 111.279 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.91 -14.64 25.21 Favored Glycine 0 C--N 1.34 0.804 0 N-CA-C 114.523 0.569 . . . . 74.12 114.523 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -117.64 -20.28 9.02 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 117.328 0.564 . . . . 75.51 110.714 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.4 m -90.31 146.88 23.86 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.635 -0.711 . . . . 65.55 110.332 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.52 ' CD1' HD11 ' A' ' 10' ' ' LEU . 67.3 m95 -127.27 151.23 49.01 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.571 -0.74 . . . . 74.43 109.63 178.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -104.42 100.37 10.07 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.201 -0.666 . . . . 74.0 109.201 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.52 98.83 11.91 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.53 -0.915 . . . . 72.24 108.53 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.1 p -100.75 119.95 39.37 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.235 -0.893 . . . . 75.25 110.131 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.1 p -116.42 -179.03 3.56 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.925 -1.034 . . . . 71.11 108.739 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -76.12 -24.65 68.32 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 120.901 -0.666 . . . . 75.3 111.484 171.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -75.58 -48.87 20.47 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.338 0.655 . . . . 55.13 110.096 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -164.14 -152.72 7.07 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.316 -0.469 . . . . 75.01 113.275 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -148.18 108.95 4.2 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.683 0.793 . . . . 74.1 109.566 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -127.17 129.37 47.74 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 123.597 0.759 . . . . 75.55 110.278 -165.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.544 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 22.6 tt0 -89.74 105.03 17.53 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.806 -0.358 . . . . 73.31 111.222 -174.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 38.0 mt -91.07 111.56 23.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.895 0.378 . . . . 70.11 110.233 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -115.63 122.57 46.0 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.808 -0.812 . . . . 72.44 108.808 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 95.3 m -86.22 119.16 26.2 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.663 -0.699 . . . . 70.24 110.978 -178.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--O 1.236 0.374 0 CA-C-N 116.034 -0.53 . . . . 74.43 110.169 -175.377 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? . . . . . 0 CA--C 1.514 -0.438 0 CA-C-O 121.74 0.781 . . . . 74.44 111.82 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.538 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 61.7 m-85 -93.79 149.26 21.38 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.589 -1.187 . . . . 61.23 108.352 173.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.609 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 33.8 tp -64.07 -31.31 72.46 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 123.784 0.677 . . . . 73.1 110.723 176.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.08 -37.85 88.95 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.0 0.37 . . . . 74.34 112.0 173.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.62 -35.19 79.59 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.837 0.71 . . . . 71.31 110.609 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 22.2 mm-40 -65.88 -41.25 91.81 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 124.185 0.928 . . . . 73.35 111.421 178.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 50.3 mt -66.37 -42.19 88.35 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.545 1.153 . . . . 72.35 111.062 -178.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.18 -29.19 70.32 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.81 -0.632 . . . . 74.22 112.171 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.3 p -104.35 14.09 30.84 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.617 0.599 . . . . 72.24 112.617 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.46 128.16 54.55 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 120.826 0.346 . . . . 74.01 110.886 178.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -84.69 -38.17 20.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.87 0.843 . . . . 73.54 108.901 174.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.1 ttp -124.79 147.83 48.49 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 113.839 -1.528 . . . . 75.31 108.793 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.3 tp -139.04 129.58 25.84 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.217 -0.66 . . . . 72.04 109.217 -177.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -104.42 152.46 22.29 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.921 -0.311 . . . . 75.35 110.387 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.536 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 14.6 tt -136.46 116.89 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 CA-C-O 121.634 0.73 . . . . 72.24 111.588 174.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 t70 63.84 20.85 12.41 Favored 'General case' 0 CA--C 1.557 1.228 0 CA-C-N 114.425 -1.261 . . . . 71.11 112.241 174.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.16 0.39 55.96 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 120.986 -0.626 . . . . 72.4 113.389 -175.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.2 tp -115.35 116.66 28.65 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.97 0.508 . . . . 75.41 110.142 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -70.5 120.51 16.25 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 112.622 0.601 . . . . 74.35 112.622 -176.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.03 136.9 32.77 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.49 -0.323 . . . . 75.52 110.416 178.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.2 p-90 -83.61 -27.19 29.36 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.089 -0.505 . . . . 74.55 110.598 -174.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -146.99 149.06 32.39 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.291 -0.633 . . . . 73.14 109.291 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -139.09 150.3 45.54 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 121.326 0.584 . . . . 71.12 109.846 169.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -116.19 136.41 53.04 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.08 -0.964 . . . . 75.1 110.894 -176.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -111.36 136.23 50.78 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.215 -0.902 . . . . 75.43 109.775 176.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -77.81 102.46 7.22 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.599 -0.889 . . . . 74.14 108.599 175.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.97 -36.93 75.59 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 124.334 1.021 . . . . 73.12 111.833 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -62.46 -40.73 97.57 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 123.98 0.8 . . . . 64.25 111.661 176.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.7 tp -79.7 -27.39 40.7 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.487 -0.324 . . . . 72.22 111.239 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.2 mt -81.83 -17.56 47.0 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 111.954 0.353 . . . . 72.1 111.954 176.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -68.05 -42.71 80.09 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 109.134 -0.691 . . . . 61.32 109.134 170.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -75.86 -27.39 57.78 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 114.851 -1.068 . . . . 72.3 111.137 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.17 -44.5 79.56 Favored 'General case' 0 C--O 1.222 -0.351 0 O-C-N 123.514 0.509 . . . . 71.21 111.375 175.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.52 -36.16 73.59 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.388 -0.823 . . . . 72.53 110.577 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.8 -49.51 76.04 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 124.379 1.05 . . . . 73.21 110.364 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.3 -36.0 76.58 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.856 0.723 . . . . 74.53 111.496 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.18 79.66 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 123.337 0.398 . . . . 71.24 111.527 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.06 -26.9 62.36 Favored 'General case' 0 C--O 1.225 -0.194 0 N-CA-C 112.397 0.517 . . . . 74.52 112.397 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.77 5.45 32.36 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.593 0.558 . . . . 73.34 111.334 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 t70 65.73 31.72 9.46 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.998 1.319 . . . . 74.41 110.822 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -118.43 114.67 36.22 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 114.646 -1.161 . . . . 73.01 109.273 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.84 124.71 16.92 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.731 2.287 . . . . 75.02 112.342 169.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.412 ' HD2' ' CZ ' ' A' ' 74' ' ' TYR . 47.6 t80 -93.06 137.96 31.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.31 -0.859 . . . . 71.15 110.173 -173.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.53 132.01 18.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.067 -0.515 . . . . 64.13 109.795 175.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -144.8 154.83 43.1 Favored 'General case' 0 CA--C 1.518 -0.25 0 C-N-CA 123.028 0.531 . . . . 73.4 109.669 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -98.61 3.43 47.93 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.212 0.449 . . . . 74.4 112.212 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.53 163.75 27.59 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.348 -0.612 . . . . 75.54 109.348 173.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 8.7 p-90 -68.49 149.58 49.1 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 109.875 -0.417 . . . . 72.43 109.875 -178.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 p -135.52 -19.68 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.405 -0.518 . . . . 73.02 111.07 172.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.32 115.57 8.45 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.194 0.521 . . . . 73.34 110.513 -171.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.86 109.16 13.27 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.461 -0.79 . . . . 74.02 109.888 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.3 m -99.87 135.4 35.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.079 0.466 . . . . 74.1 110.441 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -110.4 129.09 55.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.037 -0.529 . . . . 74.44 109.794 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.406 ' HB3' ' CZ3' ' A' ' 70' ' ' TRP . 38.3 t -135.92 132.87 37.04 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.748 -0.834 . . . . 73.22 108.748 174.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.8 mt -95.37 106.52 18.58 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.377 -0.828 . . . . 74.3 109.022 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -96.13 117.05 29.95 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.765 -0.828 . . . . 71.33 108.765 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.16 -111.54 3.46 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 109.501 -1.44 . . . . 74.22 109.501 -166.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -132.04 21.38 4.51 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.425 0.29 . . . . 72.23 110.798 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 t -97.0 160.77 14.15 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.654 0.264 . . . . 74.21 110.932 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -101.08 120.83 40.79 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.715 -0.476 . . . . 73.43 109.715 175.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.4 ttm105 -141.82 137.14 31.27 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.794 -0.447 . . . . 74.34 109.794 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.17 155.4 38.56 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.028 -0.533 . . . . 72.43 110.681 178.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.406 ' CZ3' ' HB3' ' A' ' 61' ' ' SER . 6.8 m-90 -124.94 122.78 38.34 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.979 -1.489 . . . . 74.22 106.979 174.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -114.13 126.3 54.93 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.197 0.523 . . . . 74.54 109.639 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -121.4 139.17 53.79 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.36 -0.836 . . . . 70.21 110.017 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 64.5 p -72.75 163.11 28.61 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.309 -0.859 . . . . 73.21 110.198 174.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.412 ' CZ ' ' HD2' ' A' ' 50' ' ' PHE . 40.2 t80 -60.08 -34.5 73.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.679 -1.146 . . . . 64.33 110.334 175.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.448 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -74.64 -37.5 62.75 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 114.521 -1.218 . . . . 73.32 111.69 -178.336 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.6 -35.46 80.24 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 123.589 0.556 . . . . 71.11 111.79 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.5 t -70.36 -30.13 41.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 123.706 0.802 . . . . 72.31 111.285 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.4 mmt -76.26 -25.87 55.4 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.803 0.668 . . . . 61.41 112.803 174.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 75' ' ' ASN . 52.4 mt-10 -84.1 -6.57 59.43 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 123.49 0.494 . . . . 73.22 112.264 -179.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 90' ' ' ARG . . . -64.59 120.31 12.12 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.433 1.083 . . . . 73.41 112.322 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -82.91 133.42 48.61 Favored Pre-proline 0 N--CA 1.444 -0.77 0 CA-C-N 114.189 -1.369 . . . . 73.04 110.116 -174.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -64.38 129.39 23.84 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 121.978 1.785 . . . . 73.24 111.666 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -97.42 154.83 17.22 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.801 -0.36 . . . . 64.43 110.106 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.56 -6.15 44.76 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.862 -0.608 . . . . 74.24 111.677 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -67.67 -22.69 65.28 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 114.988 -1.006 . . . . 74.34 111.061 172.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.21 -15.58 57.91 Favored Glycine 0 C--N 1.343 0.92 0 N-CA-C 114.939 0.736 . . . . 61.4 114.939 170.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -136.39 -9.73 1.94 Allowed 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.409 0.605 . . . . 74.14 111.452 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.1 m -101.8 154.57 18.79 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.075 0.464 . . . . 70.4 110.71 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.461 ' CD1' HD11 ' A' ' 10' ' ' LEU . 77.2 m95 -133.59 142.23 48.04 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.018 -0.992 . . . . 74.51 110.188 -176.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' A' ' 80' ' ' ALA . 7.8 tmm_? -89.66 98.52 11.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.41 -0.814 . . . . 75.41 109.981 -178.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.51 130.19 39.46 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.31 -0.996 . . . . 73.14 108.31 176.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.6 m -133.66 133.11 41.51 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.895 -0.779 . . . . 75.22 108.895 171.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.1 p -127.07 -173.28 2.85 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 124.215 0.947 . . . . 75.22 110.237 -175.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.17 -12.51 84.27 Favored Glycine 0 C--N 1.342 0.883 0 O-C-N 123.738 0.649 . . . . 54.02 112.854 170.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -87.48 -48.97 7.51 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.691 -0.485 . . . . 74.12 109.691 175.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 171.27 -164.31 37.27 Favored Glycine 0 N--CA 1.446 -0.667 0 O-C-N 123.588 0.555 . . . . 61.14 112.589 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.53 128.99 55.59 Favored 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 122.981 0.512 . . . . 54.05 110.537 -172.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -130.69 157.95 41.4 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.364 1.066 . . . . 74.31 109.733 -173.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.536 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 45.7 tt0 -121.95 107.56 12.4 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 121.828 -0.545 . . . . 74.42 110.903 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.4 mt -92.23 113.18 25.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.186 0.517 . . . . 72.53 110.633 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -115.79 123.9 49.39 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.57 -0.741 . . . . 74.13 110.419 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.3 p -84.71 133.6 34.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.541 -0.754 . . . . 73.4 111.007 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 98.6 mt . . . . . 0 C--O 1.234 0.288 0 CA-C-N 116.024 -0.535 . . . . 75.34 109.81 178.14 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 121.481 0.658 . . . . 75.44 110.263 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -86.78 176.61 7.64 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 114.768 -1.106 . . . . 74.32 108.473 171.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.93 -29.19 69.0 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.758 0.313 . . . . 71.1 110.569 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.1 tp -70.49 -31.21 68.22 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.492 -0.777 . . . . 74.13 111.49 174.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -80.12 -26.07 39.63 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.276 0.56 . . . . 64.45 110.067 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 32.4 mm-40 -84.6 -24.98 28.93 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 113.572 0.953 . . . . 75.42 113.572 -176.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pp -78.04 -21.83 50.09 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.592 0.633 . . . . 64.22 111.966 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -75.77 -26.45 57.38 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.804 -0.634 . . . . 74.54 111.091 172.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 p -102.86 27.03 7.39 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 116.035 -0.529 . . . . 74.25 110.737 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.48 147.83 50.7 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-O 121.198 0.523 . . . . 71.04 111.873 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -100.56 -51.52 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.844 -1.071 . . . . 75.44 109.382 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.458 ' HG3' ' HB2' ' A' ' 103' ' ' LEU . 11.9 ptt? -123.14 152.4 41.17 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.441 -1.254 . . . . 74.05 109.124 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.428 ' HG ' ' CD2' ' A' ' 30' ' ' PHE . 20.0 mt -110.3 170.36 8.13 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 109.252 -0.647 . . . . 73.45 109.252 175.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 36.7 tt0 -138.43 137.61 37.38 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.557 -0.905 . . . . 72.02 108.557 174.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.2 mt -120.77 102.04 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.626 -0.509 . . . . 75.21 109.626 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.6 t70 65.43 30.1 11.02 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.102 1.361 . . . . 65.3 111.499 173.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.65 -22.19 40.76 Favored Glycine 0 C--O 1.23 -0.119 0 C-N-CA 120.929 -0.653 . . . . 71.13 112.94 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tt -85.03 109.73 18.42 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.002 -1.11 . . . . 73.33 108.002 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -68.06 121.56 16.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.029 -0.532 . . . . 75.03 110.462 -177.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.39 137.83 38.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.186 -0.916 . . . . 72.24 109.518 176.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -82.07 -33.94 29.64 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 120.784 -0.366 . . . . 74.52 111.081 -174.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -155.54 137.78 14.78 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.912 -0.403 . . . . 74.51 109.912 -172.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.428 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 31.9 p90 -125.22 161.84 26.01 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.451 -0.795 . . . . 72.43 109.852 172.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 47.8 mt-10 -125.63 140.38 52.78 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.728 -0.669 . . . . 72.02 109.798 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.7 mt -114.88 134.04 55.48 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.804 -0.443 . . . . 72.23 109.804 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.491 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.0 t-20 -78.76 91.93 4.76 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.561 -0.903 . . . . 73.14 108.561 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -70.72 -27.31 63.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.303 -0.862 . . . . 63.32 111.615 -175.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -64.17 -47.4 79.97 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.918 0.887 . . . . 71.03 111.625 173.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.7 tp -72.79 -27.23 61.87 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 122.399 0.28 . . . . 73.52 110.894 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 54.8 mt -80.1 -20.59 44.73 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 112.361 0.504 . . . . 73.14 112.361 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -68.51 -39.69 81.12 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 123.629 0.581 . . . . 74.25 109.767 171.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -76.74 -28.54 55.8 Favored 'General case' 0 C--O 1.224 -0.282 0 O-C-N 124.371 1.044 . . . . 63.12 111.079 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.7 -33.64 66.6 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-N 115.744 -0.662 . . . . 71.32 110.901 177.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -76.94 -36.62 56.42 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.427 -0.806 . . . . 60.23 110.641 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.81 -47.17 87.55 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.794 1.238 . . . . 73.0 110.255 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.51 80.65 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 124.026 0.829 . . . . 74.21 111.507 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.52 94.24 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.338 0.399 . . . . 74.34 111.703 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -74.25 -21.95 59.55 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.962 -0.563 . . . . 75.43 112.152 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.67 0.81 55.17 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 122.917 0.487 . . . . 75.42 111.729 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.1 t70 67.52 28.83 7.47 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.617 1.567 . . . . 73.53 111.894 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -113.04 124.76 30.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.056 -0.975 . . . . 74.14 109.52 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -58.76 130.31 36.37 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.585 2.19 . . . . 55.13 111.64 171.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -98.95 127.58 44.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.257 0.551 . . . . 73.42 110.387 -176.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -133.47 127.52 33.45 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.808 -0.812 . . . . 70.22 108.808 174.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.2 t -149.14 134.9 18.79 Favored 'General case' 0 C--O 1.222 -0.38 0 O-C-N 123.396 0.435 . . . . 74.22 110.324 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -91.47 14.27 15.27 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.446 0.535 . . . . 74.43 112.446 176.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -78.05 157.07 29.71 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 108.34 -0.985 . . . . 62.45 108.34 169.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 10.0 p-90 -64.67 149.46 49.01 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.691 0.619 . . . . 74.1 110.506 -177.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.03 -19.82 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.259 0.552 . . . . 71.55 110.501 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.434 ' HA ' ' O ' ' A' ' 31' ' ' GLU . 60.2 tp -148.7 111.45 4.8 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-O 121.409 0.623 . . . . 75.43 111.27 -169.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.37 103.69 13.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.581 -0.736 . . . . 64.24 109.208 175.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 t -100.08 124.48 53.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.48 -0.782 . . . . 74.32 108.938 -173.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -121.64 141.71 50.85 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.457 0.646 . . . . 54.24 111.123 -177.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.3 m -134.86 153.79 51.91 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.541 -1.209 . . . . 74.03 109.602 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.429 ' HA ' ' O ' ' A' ' 66' ' ' THR . 6.4 mp -123.38 107.84 12.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.705 -0.225 . . . . 75.45 111.134 176.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -97.71 115.96 28.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.358 -0.979 . . . . 73.2 108.358 171.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.03 -95.83 1.42 Allowed Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.381 -1.088 . . . . 74.02 110.381 -167.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -151.24 27.37 0.68 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.662 0.785 . . . . 73.53 111.07 171.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 9.0 t -97.67 146.72 25.05 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.128 -0.629 . . . . 74.03 110.193 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -93.91 100.05 12.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.048 0.451 . . . . 72.51 110.084 -176.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -98.95 115.34 28.67 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.867 -0.606 . . . . 74.14 110.449 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -122.84 130.76 53.27 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.098 -0.501 . . . . 74.24 110.21 -175.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -121.44 121.94 38.68 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.565 -0.902 . . . . 75.12 108.565 175.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -102.52 119.56 39.04 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.529 -0.545 . . . . 75.25 109.529 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -104.81 136.76 43.71 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.051 -0.977 . . . . 75.14 108.575 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.457 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 77.7 p -80.05 166.58 21.4 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.808 -0.633 . . . . 74.12 110.3 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -61.64 -37.28 83.42 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 115.406 -0.815 . . . . 75.5 109.768 175.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -68.19 -36.2 79.21 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 124.554 1.159 . . . . 72.44 111.279 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.87 -40.53 79.25 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.608 0.568 . . . . 73.14 111.545 176.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 37.5 t -66.23 -30.72 50.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 124.193 0.997 . . . . 75.34 112.023 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.4 mmt -67.22 -51.67 50.41 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.398 -0.364 . . . . 73.04 111.675 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -80.65 -1.93 44.43 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.695 0.628 . . . . 72.34 112.695 -176.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.99 126.8 29.16 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.56 0.695 . . . . 65.35 110.719 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -83.12 129.77 59.78 Favored Pre-proline 0 N--CA 1.44 -0.973 0 CA-C-N 113.52 -1.673 . . . . 73.23 111.143 -167.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -69.46 122.83 9.59 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.792 1.661 . . . . 71.44 111.194 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -87.49 166.05 15.07 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.879 -0.6 . . . . 75.31 109.632 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.94 -4.66 39.41 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.94 -0.573 . . . . 63.05 112.313 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.95 -24.77 59.69 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.565 0.746 . . . . 74.34 110.929 172.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.93 -14.49 37.5 Favored Glycine 0 C--N 1.34 0.76 0 N-CA-C 115.392 0.917 . . . . 55.41 115.392 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -125.39 -20.73 4.71 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 117.465 0.633 . . . . 71.42 110.802 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.6 m -89.79 146.79 24.22 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.949 -0.569 . . . . 70.53 110.797 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -128.4 158.98 36.79 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 114.622 -1.172 . . . . 74.23 109.824 -175.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -120.06 103.17 9.06 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 121.282 0.563 . . . . 73.43 110.565 -175.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.02 135.8 33.5 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.87 -1.059 . . . . 75.03 108.415 172.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.9 t -125.94 130.15 50.69 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.453 -0.943 . . . . 71.11 108.453 172.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 76.9 p -129.18 -174.73 3.35 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.748 -0.66 . . . . 71.24 109.331 -175.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.47 -20.21 78.77 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.079 -0.581 . . . . 71.33 112.535 174.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.01 -45.76 19.55 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 122.845 0.458 . . . . 75.52 109.786 177.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.17 -117.42 0.63 Allowed Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.974 -0.632 . . . . 73.42 112.725 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -142.23 151.56 42.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 122.928 0.491 . . . . 71.22 109.739 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -139.91 121.31 15.03 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 109.263 -0.643 . . . . 72.41 109.263 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -90.37 108.86 20.04 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 119.968 -0.693 . . . . 73.42 109.457 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 10.3 mt -95.27 109.03 21.21 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 120.614 0.245 . . . . 73.15 111.408 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -104.95 128.83 53.38 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.259 -0.576 . . . . 74.52 110.227 174.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 63.9 m -85.59 132.96 34.08 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.953 -1.021 . . . . 72.1 110.953 -178.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.458 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 87.9 mt . . . . . 0 C--O 1.224 -0.279 0 CA-C-N 115.431 -0.804 . . . . 64.22 110.542 -168.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 . . . . . 0 CA--C 1.501 -0.915 0 N-CA-C 107.225 -1.398 . . . . 63.43 107.225 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -74.22 172.9 10.96 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.372 -1.285 . . . . 73.31 109.019 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.43 HD11 ' CD1' ' A' ' 89' ' ' TRP . 54.5 tp -62.68 -31.64 72.57 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.973 -0.291 . . . . 74.4 110.698 174.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.9 tp -61.11 -41.29 96.43 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 124.098 0.874 . . . . 73.25 112.26 173.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -80.06 -25.76 39.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.77 0.319 . . . . 74.11 110.903 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -80.82 -27.33 36.58 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 113.529 0.937 . . . . 74.33 113.529 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -75.34 -21.32 58.47 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.532 0.606 . . . . 72.02 111.472 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -76.77 -33.22 58.07 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.7 -0.682 . . . . 71.2 110.963 175.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 p -98.12 -5.89 32.72 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.929 0.714 . . . . 61.43 112.929 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.77 136.92 32.78 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 120.782 0.325 . . . . 71.13 110.798 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.84 -34.44 11.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.42 -0.809 . . . . 72.42 110.176 175.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 19.1 ttt -118.16 141.39 48.54 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.585 -0.734 . . . . 72.54 109.268 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 tp -132.93 125.42 29.79 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.985 -0.746 . . . . 75.32 108.985 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -115.03 148.52 38.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.117 -0.492 . . . . 74.32 110.624 -175.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.531 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 52.5 mt -123.52 96.55 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 121.018 0.437 . . . . 72.53 110.18 173.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.2 t70 50.75 63.3 2.28 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 113.931 -1.486 . . . . 74.12 113.186 173.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.7 0.68 69.05 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 115.331 -0.849 . . . . 73.22 114.218 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.1 tp -120.68 108.24 13.76 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 108.568 -0.901 . . . . 63.33 108.568 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -70.74 132.39 45.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.345 -0.389 . . . . 73.25 110.528 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.51 125.14 28.87 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.659 -1.237 . . . . 75.02 107.659 171.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -75.09 -27.62 59.97 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.743 0.306 . . . . 74.22 110.646 -172.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -150.31 165.04 34.24 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.421 -0.955 . . . . 72.55 108.421 171.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -146.0 167.48 23.23 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.031 0.443 . . . . 74.53 111.164 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -137.52 128.33 27.14 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.788 -0.642 . . . . 73.43 109.631 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.5 mt -102.82 133.2 48.28 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 107.783 -1.191 . . . . 74.21 107.783 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.491 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 42.4 t-20 -75.21 93.31 2.81 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 109.329 -0.619 . . . . 73.13 109.329 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.94 -35.95 82.82 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.088 0.955 . . . . 73.13 112.413 -174.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -64.09 -43.43 95.42 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 124.164 0.915 . . . . 73.12 111.8 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.8 tp -79.2 -25.48 42.72 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.587 -0.278 . . . . 71.2 111.335 -178.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 18.1 mt -82.67 -18.05 42.38 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 111.847 0.314 . . . . 73.3 111.847 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 19.2 t70 -68.85 -42.32 77.24 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 109.339 -0.615 . . . . 64.03 109.339 169.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -75.3 -30.98 60.54 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.812 0.695 . . . . 74.31 111.529 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.99 84.78 Favored 'General case' 0 CA--C 1.519 -0.212 0 O-C-N 123.695 0.622 . . . . 72.51 111.469 177.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.411 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 9.4 t70 -79.16 -31.91 44.1 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.332 -0.849 . . . . 74.44 110.353 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 38' ' ' ASP . 6.1 tt -61.95 -46.81 87.66 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.392 1.077 . . . . 72.32 110.664 177.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.55 79.1 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.407 -0.815 . . . . 74.51 111.007 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.93 -34.0 77.12 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.481 0.488 . . . . 64.43 112.139 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 41' ' ' ASP . 13.6 mm-40 -75.65 -22.15 57.03 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.509 -0.314 . . . . 74.21 111.363 175.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.25 6.81 35.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 122.741 0.417 . . . . 74.42 111.845 174.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.0 t70 68.36 28.25 6.24 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 125.492 1.517 . . . . 72.1 111.326 177.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -115.47 137.12 22.92 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.51 -0.768 . . . . 72.2 109.837 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -68.41 133.28 27.72 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.132 1.888 . . . . 74.23 112.111 171.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -108.35 136.06 48.61 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.68 -0.489 . . . . 73.01 109.68 177.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -143.36 142.78 31.4 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.25 -0.648 . . . . 72.15 109.25 172.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.2 t -153.78 128.69 9.52 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.652 -0.87 . . . . 61.1 108.652 -174.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.77 16.39 14.18 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 116.157 -0.474 . . . . 64.11 111.543 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -83.12 168.58 16.72 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.25 -1.019 . . . . 74.23 108.25 169.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -69.89 147.61 50.06 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.012 0.434 . . . . 74.54 110.42 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.0 p -126.22 -26.75 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-O 121.239 0.542 . . . . 73.12 110.166 174.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 0.7 OUTLIER -130.15 129.82 43.97 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.993 -0.548 . . . . 73.33 110.877 -176.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.73 97.78 5.29 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.271 -1.011 . . . . 75.21 108.271 168.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -101.93 121.99 53.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 113.981 -1.463 . . . . 73.34 108.963 -172.689 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -111.32 134.8 52.64 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 120.369 -0.532 . . . . 74.34 109.9 -177.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.9 t -133.0 159.27 40.5 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.917 -0.771 . . . . 72.43 108.917 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.1 mt -105.63 106.69 17.31 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.659 -0.867 . . . . 74.2 108.659 171.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.454 ' O ' HG23 ' A' ' 66' ' ' THR . 36.9 t70 -98.77 101.64 13.11 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.323 -0.621 . . . . 72.2 109.323 -177.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.72 -98.03 1.39 Allowed Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 108.927 -1.669 . . . . 71.4 108.927 -164.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -134.35 3.33 3.35 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 123.801 0.354 . . . . 74.32 111.506 172.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 63' ' ' ASP . 6.6 t -89.6 149.8 22.67 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.953 0.406 . . . . 74.51 110.523 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -93.04 106.08 18.09 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.083 -0.71 . . . . 74.03 109.083 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -108.65 115.45 30.12 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.662 -0.496 . . . . 74.2 109.662 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -108.85 143.98 37.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.424 -0.807 . . . . 62.32 109.585 176.775 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 14.8 m-90 -117.5 129.86 56.08 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.829 -0.804 . . . . 75.44 108.829 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.455 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 23.7 mtm180 -104.19 117.82 35.16 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.981 -0.748 . . . . 74.33 108.981 173.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -104.26 139.12 39.73 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 108.653 -0.869 . . . . 72.53 108.653 175.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 76.4 p -82.97 158.89 22.37 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 123.64 0.588 . . . . 74.24 109.883 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -68.06 -28.39 67.33 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.808 -0.633 . . . . 73.14 110.82 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -71.37 -31.31 67.18 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.506 0.722 . . . . 74.5 110.779 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.89 -24.15 44.35 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 123.545 0.528 . . . . 73.2 111.616 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.06 -26.89 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 122.975 0.51 . . . . 73.44 110.46 173.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.4 mmt -68.65 -41.07 79.86 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.064 -0.516 . . . . 70.43 112.196 173.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -89.85 -0.54 57.62 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.635 0.606 . . . . 74.15 112.635 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.54 120.28 7.48 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 123.739 0.816 . . . . 74.34 111.531 -176.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -76.41 126.55 86.18 Favored Pre-proline 0 C--O 1.239 0.532 0 CA-C-N 114.783 -1.099 . . . . 72.02 111.228 -168.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -72.25 114.53 4.01 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 121.88 1.72 . . . . 74.03 111.39 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -83.7 160.03 21.39 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.416 -0.811 . . . . 73.2 109.933 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.61 -4.85 45.14 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.498 -0.773 . . . . 64.45 111.916 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -74.56 -24.93 59.01 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.399 -0.364 . . . . 72.42 110.81 169.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.86 -15.31 21.42 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 114.808 0.683 . . . . 70.44 114.808 177.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -116.38 -34.04 4.74 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 117.554 0.677 . . . . 74.14 110.681 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.5 m -81.51 144.74 31.11 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.515 -0.766 . . . . 75.15 110.445 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.43 ' CD1' HD11 ' A' ' 10' ' ' LEU . 82.3 m95 -127.24 150.94 49.32 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.359 -0.978 . . . . 73.15 108.359 176.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -102.43 100.06 10.16 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.678 -0.49 . . . . 74.55 109.678 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.73 99.75 12.58 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.411 -0.813 . . . . 73.34 108.939 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 p -83.81 134.38 34.72 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.67 -0.695 . . . . 74.14 109.909 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.5 p -133.25 -179.02 5.25 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.298 -0.865 . . . . 75.4 110.947 -174.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.88 -17.38 80.17 Favored Glycine 0 CA--C 1.523 0.585 0 CA-C-N 115.908 -0.587 . . . . 54.53 111.776 171.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -81.52 -43.12 19.21 Favored 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 122.879 0.471 . . . . 71.11 110.981 173.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 167.21 -106.87 0.27 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.145 -0.55 . . . . 62.12 112.22 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.85 137.1 16.54 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.088 0.47 . . . . 72.23 110.374 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -126.35 134.9 50.96 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.518 -0.765 . . . . 74.45 109.587 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.531 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 15.1 tt0 -83.55 104.01 13.34 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.013 -0.736 . . . . 75.12 109.013 175.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.9 mt -92.31 106.51 18.5 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 108.648 -0.871 . . . . 63.42 108.648 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -109.16 119.68 40.26 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-O 121.446 0.641 . . . . 73.31 109.308 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 85.8 m -82.2 125.56 31.06 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 114.099 -1.409 . . . . 61.2 108.703 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 115.18 -0.918 . . . . 75.22 110.55 -175.239 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 . . . . . 0 N--CA 1.439 -0.98 0 N-CA-C 108.568 -0.901 . . . . 72.24 108.568 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.516 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 76.6 m-85 -99.25 167.94 10.35 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 106.248 -1.76 . . . . 71.2 106.248 165.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 89' ' ' TRP . 48.2 tp -63.6 -24.84 67.96 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.477 0.486 . . . . 71.54 111.138 176.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.0 tp -66.88 -33.85 76.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.331 -0.85 . . . . 73.03 112.437 177.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -82.01 -24.25 35.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.312 0.577 . . . . 74.24 109.999 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 10.8 mm-40 -81.73 -33.05 31.29 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.442 -0.799 . . . . 64.31 112.181 -174.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 pp -71.89 -22.49 61.49 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.419 0.526 . . . . 73.52 112.419 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -76.39 -23.98 54.09 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.964 -0.562 . . . . 61.43 112.073 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.5 p -110.8 17.63 20.38 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.848 0.356 . . . . 63.42 111.029 176.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.82 121.2 33.22 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.373 0.606 . . . . 71.21 110.899 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -82.89 -52.51 6.65 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.563 -0.902 . . . . 74.35 108.563 171.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 30.5 ttp -113.17 143.19 44.8 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.319 -1.31 . . . . 74.33 108.301 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.3 144.94 50.95 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.353 -0.61 . . . . 74.32 109.353 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 86.0 mt-10 -113.03 153.17 28.53 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 116.329 -0.396 . . . . 73.31 110.102 174.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 13.9 tt -146.57 98.59 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-O 122.398 1.094 . . . . 73.4 110.496 170.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.1 t70 60.64 43.95 12.02 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 113.956 -1.474 . . . . 75.23 111.122 175.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.16 -23.45 34.59 Favored Glycine 0 C--N 1.334 0.464 0 CA-C-N 115.046 -0.979 . . . . 75.12 112.822 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 mp -87.96 126.78 35.25 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-O 120.98 0.419 . . . . 74.44 110.841 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -89.16 110.37 21.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.308 -0.405 . . . . 74.14 111.047 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.83 116.68 12.5 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.208 0.528 . . . . 75.13 109.886 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.4 p-90 -84.94 -24.71 28.26 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.301 -0.863 . . . . 75.45 110.564 -172.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -150.1 136.24 18.74 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 108.248 -1.019 . . . . 75.22 108.248 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -138.78 154.38 48.5 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.854 -0.612 . . . . 74.02 111.032 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -108.04 147.74 30.74 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.315 -0.857 . . . . 72.13 109.565 178.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.2 mt -123.5 138.02 54.66 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 114.908 -1.042 . . . . 71.24 108.528 177.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.495 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 37.5 t-20 -81.07 91.06 6.04 Favored 'General case' 0 C--O 1.224 -0.288 0 N-CA-C 108.405 -0.961 . . . . 63.32 108.405 176.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -74.13 -25.48 59.79 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 124.086 0.866 . . . . 74.41 111.27 -172.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.484 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 25.4 m-80 -67.17 -44.42 79.77 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 123.844 0.715 . . . . 74.3 111.173 173.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.3 tp -74.16 -25.01 59.49 Favored 'General case' 0 C--O 1.221 -0.422 0 O-C-N 123.82 0.7 . . . . 75.03 111.118 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 69.2 mt -83.24 -21.75 33.29 Favored 'General case' 0 C--O 1.223 -0.32 0 O-C-N 123.413 0.446 . . . . 62.41 111.564 176.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -70.71 -38.54 73.64 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 109.317 -0.623 . . . . 74.15 109.317 171.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.484 ' HG3' ' O ' ' A' ' 35' ' ' ASN . 63.6 mt-30 -74.98 -29.41 60.89 Favored 'General case' 0 C--O 1.225 -0.203 0 O-C-N 124.296 0.998 . . . . 73.51 111.042 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.6 77.79 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 122.714 0.406 . . . . 75.42 111.206 177.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 25.9 t70 -77.81 -29.72 50.86 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.431 -0.804 . . . . 74.42 110.844 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.82 -46.04 92.08 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.538 1.135 . . . . 74.04 110.156 173.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.78 -36.27 75.6 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 115.114 -0.948 . . . . 71.3 110.795 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.89 -23.38 62.27 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.186 0.439 . . . . 64.33 112.186 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 41' ' ' ASP . 49.2 mt-10 -74.44 -27.82 60.77 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 122.87 0.468 . . . . 65.42 111.123 171.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.24 3.73 54.1 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.05 0.54 . . . . 71.01 112.08 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 67.9 27.01 7.39 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 123.029 1.395 . . . . 65.32 111.035 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -109.67 123.59 36.01 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 115.454 -0.794 . . . . 74.02 109.49 -176.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.21 124.69 15.3 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.466 2.111 . . . . 73.13 111.945 172.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.407 ' HD2' ' CZ ' ' A' ' 74' ' ' TYR . 45.7 t80 -93.29 130.48 39.0 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.645 -0.707 . . . . 75.1 110.013 -176.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -132.43 130.31 40.42 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.659 -0.701 . . . . 75.0 110.379 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -146.48 148.16 31.95 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.276 -1.009 . . . . 74.25 108.276 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -107.9 12.5 27.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.594 0.235 . . . . 74.24 111.052 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.52 168.65 18.02 Favored 'General case' 0 N--CA 1.462 0.126 0 N-CA-C 109.151 -0.685 . . . . 44.33 109.151 174.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 8.9 p-90 -68.95 152.55 45.13 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 120.921 0.391 . . . . 73.41 110.672 -176.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 p -135.15 -24.8 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 CA-C-O 120.975 0.416 . . . . 73.33 111.36 176.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.8 tp -142.06 124.0 15.31 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.904 0.383 . . . . 73.02 110.929 -172.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.56 99.85 6.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.387 -0.824 . . . . 63.33 109.797 174.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -99.96 113.8 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.9 0.381 . . . . 74.44 110.934 -174.092 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -101.0 118.93 37.97 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.726 0.774 . . . . 74.33 109.827 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t -119.54 145.51 46.3 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 114.305 -1.316 . . . . 71.13 109.205 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.6 mt -103.79 116.01 31.51 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.89 -0.324 . . . . 53.43 110.748 -176.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.51 ' O ' ' HB ' ' A' ' 66' ' ' THR . 29.5 t70 -115.21 97.25 6.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.41 0.624 . . . . 54.23 109.444 175.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.22 -116.92 4.49 Favored Glycine 0 N--CA 1.441 -1.001 0 N-CA-C 110.398 -1.081 . . . . 73.32 110.398 -172.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -115.41 16.22 16.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.724 0.773 . . . . 74.53 109.103 169.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 63' ' ' ASP . 3.2 m -87.42 128.05 35.21 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.434 -1.257 . . . . 73.33 111.0 -178.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -94.16 100.3 12.41 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.887 -1.051 . . . . 73.41 108.533 172.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -108.84 116.13 31.41 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.95 -0.568 . . . . 72.12 109.481 -175.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 38.2 tt0 -119.08 133.2 55.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.048 0.451 . . . . 72.44 110.714 -177.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 23.3 m-90 -108.88 124.88 51.34 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.754 -0.657 . . . . 72.42 109.275 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -107.96 119.17 38.7 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.513 0.673 . . . . 74.43 109.699 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -108.79 148.85 29.92 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.168 -0.924 . . . . 74.41 111.105 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.4 m -75.05 156.93 35.61 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 114.928 -1.033 . . . . 73.34 109.73 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.407 ' CZ ' ' HD2' ' A' ' 50' ' ' PHE . 63.7 t80 -60.93 -37.5 82.53 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.851 0.86 . . . . 73.23 110.085 175.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -25.69 64.98 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 124.276 0.985 . . . . 71.11 112.102 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.07 -34.68 43.47 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 121.121 0.486 . . . . 73.2 110.975 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.9 t -76.55 -24.6 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-N 115.624 -0.717 . . . . 74.34 111.204 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mmt -75.24 -38.83 60.41 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.189 -0.46 . . . . 74.22 111.815 175.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -81.71 -3.67 54.29 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.528 0.566 . . . . 74.13 112.528 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.93 117.37 6.31 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.366 0.603 . . . . 72.51 111.934 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -84.92 131.85 47.72 Favored Pre-proline 0 N--CA 1.439 -1.008 0 CA-C-N 114.424 -1.262 . . . . 74.42 110.776 -173.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -64.87 131.92 30.71 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 121.804 1.669 . . . . 71.45 111.709 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -88.88 173.15 8.67 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.772 -0.649 . . . . 62.13 111.641 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.51 -7.92 56.99 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.434 -0.803 . . . . 71.54 111.531 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -74.86 -23.02 58.36 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 114.923 -1.035 . . . . 73.2 110.703 171.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.44 -13.69 39.22 Favored Glycine 0 C--N 1.342 0.908 0 N-CA-C 114.747 0.659 . . . . 64.44 114.747 175.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -123.06 -30.04 3.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.02 0.41 . . . . 65.23 110.853 -177.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.6 m -86.44 151.89 23.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 73.21 111.436 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.571 ' CD1' HD11 ' A' ' 10' ' ' LEU . 72.0 m95 -126.81 146.95 50.06 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.873 -0.603 . . . . 75.01 110.487 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -95.54 99.78 11.62 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.858 -0.61 . . . . 75.52 110.62 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.42 106.04 18.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.976 -1.011 . . . . 74.41 108.996 177.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.1 p -110.33 110.27 21.01 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.501 0.667 . . . . 72.11 112.058 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 81.5 p -102.27 -173.27 2.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.022 -0.99 . . . . 70.04 109.953 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.77 -10.65 83.41 Favored Glycine 0 C--N 1.338 0.653 0 C-N-CA 121.284 -0.484 . . . . 73.0 112.436 172.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -85.66 -45.58 11.56 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.357 0.663 . . . . 71.13 109.964 177.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.77 -113.88 0.54 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.624 -0.798 . . . . 75.11 113.22 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -147.1 139.64 24.83 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.935 0.494 . . . . 70.24 110.677 -171.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -137.63 140.1 40.7 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 108.886 -0.783 . . . . 75.13 108.886 -178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 43.7 tt0 -101.66 98.66 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.981 0.42 . . . . 63.33 109.934 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 33.2 mt -94.47 111.59 23.34 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.896 -0.409 . . . . 74.11 109.896 -179.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -119.59 115.64 24.4 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.704 -0.48 . . . . 71.43 109.704 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 77.0 m -83.71 122.83 29.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.233 -0.894 . . . . 73.12 110.974 -177.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 74.1 mt . . . . . 0 C--N 1.315 -0.923 0 CA-C-N 114.968 -1.015 . . . . 74.11 111.358 -173.609 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 . . . . . 0 N--CA 1.445 -0.709 0 N-CA-C 109.78 -0.452 . . . . 74.02 109.78 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.523 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 92.7 m-85 -68.63 163.13 24.45 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 124.154 0.909 . . . . 72.11 109.138 171.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 89' ' ' TRP . 62.0 tp -58.55 -25.8 62.87 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 123.788 0.68 . . . . 71.25 112.342 178.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.1 tp -59.15 -39.15 81.53 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.697 0.799 . . . . 72.43 112.669 173.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -82.52 -31.69 29.07 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.756 0.312 . . . . 72.2 110.695 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 36.6 mm-40 -69.09 -30.85 69.24 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.333 -0.849 . . . . 73.5 111.941 -176.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -74.89 -22.82 58.41 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.728 0.27 . . . . 64.25 111.728 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -74.09 -33.58 63.68 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.058 -0.519 . . . . 74.41 111.739 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.9 p -97.82 -3.74 38.21 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.043 -0.526 . . . . 75.42 111.942 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.25 127.73 33.83 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 122.565 0.346 . . . . 73.43 111.69 -176.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.18 -57.67 3.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.629 -0.878 . . . . 71.25 108.629 169.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.0 mtm -110.58 154.09 24.23 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.064 -0.971 . . . . 72.33 109.086 176.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.2 tp -132.01 119.13 20.64 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.068 -0.716 . . . . 75.52 109.068 175.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 11.7 tt0 -105.04 152.31 22.9 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 114.792 -1.095 . . . . 74.24 110.371 -174.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.57 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 12.8 tt -132.69 107.47 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-O 122.168 0.985 . . . . 73.14 111.027 174.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.1 t70 54.69 56.79 6.34 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 125.021 1.329 . . . . 61.34 112.069 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.02 14.91 76.24 Favored Glycine 0 CA--C 1.527 0.784 0 CA-C-N 115.553 -0.749 . . . . 73.55 113.854 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 tt -132.44 105.71 7.43 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 107.437 -1.319 . . . . 75.34 107.437 -176.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 28.7 p-80 -82.12 133.53 35.28 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 111.837 0.31 . . . . 74.43 111.837 -170.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.55 145.48 26.2 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.667 -0.242 . . . . 74.01 110.373 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 44.3 p-90 -90.9 -25.03 20.02 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.03 0.443 . . . . 75.35 110.116 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -135.57 135.73 40.54 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.861 -0.609 . . . . 73.32 109.45 -177.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -144.02 146.37 32.84 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.085 -0.961 . . . . 75.33 109.229 172.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -126.84 147.25 50.05 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.468 -0.787 . . . . 73.5 109.293 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.8 mt -117.72 144.39 45.33 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.257 -0.883 . . . . 70.4 109.023 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.615 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 48.6 t-20 -79.52 86.96 5.14 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.377 -0.972 . . . . 62.22 108.377 175.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -28.8 62.05 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.796 -1.093 . . . . 70.43 112.489 -172.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -59.56 -43.59 93.52 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.768 0.827 . . . . 73.11 111.491 173.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 tp -79.26 -23.44 43.65 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 114.875 -1.057 . . . . 71.32 111.035 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 20.1 mt -78.92 -28.55 43.89 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 111.995 0.369 . . . . 75.01 111.995 -179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -63.73 -41.01 98.12 Favored 'General case' 0 C--O 1.219 -0.551 0 O-C-N 123.531 0.519 . . . . 72.41 109.726 172.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -71.87 -31.22 66.24 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.651 1.219 . . . . 74.43 112.416 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.22 -43.01 83.09 Favored 'General case' 0 CA--C 1.513 -0.471 0 O-C-N 123.662 0.601 . . . . 63.05 111.233 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -78.89 -31.98 45.66 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 124.063 0.852 . . . . 75.23 111.181 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 tt -56.57 -44.24 80.8 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.57 1.148 . . . . 74.43 111.047 173.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.65 -39.58 51.8 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 115.575 -0.739 . . . . 74.33 111.307 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.33 -30.16 69.06 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.663 0.616 . . . . 74.25 112.663 -177.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.44 -23.29 53.93 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 122.432 0.293 . . . . 64.41 111.503 174.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.31 8.34 27.92 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.387 -0.37 . . . . 74.3 111.646 174.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.4 t70 67.96 23.23 8.31 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 125.116 1.366 . . . . 74.31 111.409 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -106.29 129.95 23.72 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.238 -0.892 . . . . 75.02 110.019 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -64.7 131.42 29.33 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.779 2.319 . . . . 64.25 112.545 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -112.89 120.29 40.92 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.692 -0.484 . . . . 74.2 109.692 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.59 132.35 37.03 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.727 -0.472 . . . . 72.13 109.727 172.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -140.94 141.36 34.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.404 -0.816 . . . . 74.1 109.418 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -95.13 12.58 28.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.937 0.347 . . . . 73.2 111.937 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -81.65 164.99 21.43 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.439 -0.949 . . . . 74.44 108.439 172.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -66.21 154.3 40.18 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 120.711 0.291 . . . . 73.22 110.335 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.9 p -135.06 -22.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.215 0.531 . . . . 75.32 110.519 170.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.65 130.1 43.5 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 116.186 -0.461 . . . . 74.33 109.925 -174.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.36 108.72 8.87 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.013 -0.736 . . . . 43.31 109.013 166.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -104.8 118.45 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.47 -0.332 . . . . 74.33 110.394 178.057 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -107.9 125.8 51.91 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.159 -0.682 . . . . 74.43 109.159 173.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -125.85 152.25 45.76 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 115.187 -0.915 . . . . 52.35 110.407 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -101.48 105.21 16.18 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.818 0.818 . . . . 74.31 111.622 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.43 ' O ' ' HB ' ' A' ' 66' ' ' THR . 31.4 t70 -100.99 93.19 5.37 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.796 -1.093 . . . . 73.12 108.368 173.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.04 -102.25 1.9 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.819 -0.912 . . . . 61.02 110.819 -171.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -114.5 -13.43 12.2 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.316 0.647 . . . . 74.41 109.751 172.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 63' ' ' ASP . 92.7 m -66.72 114.69 5.81 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.237 1.415 . . . . 64.32 112.15 -175.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -89.86 99.17 12.23 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.515 -0.92 . . . . 74.14 108.515 171.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -107.4 124.72 50.26 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.968 -0.382 . . . . 73.11 109.968 -174.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 21.7 tt0 -112.91 128.34 56.44 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.326 0.584 . . . . 64.14 110.9 -175.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 20.5 m-90 -110.53 126.31 54.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.206 -0.906 . . . . 71.41 109.295 173.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -108.37 133.83 52.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.119 0.485 . . . . 74.11 110.276 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -122.99 136.89 55.03 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 115.261 -0.881 . . . . 74.33 109.452 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.4 m -77.93 161.26 27.69 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.096 0.873 . . . . 72.11 110.094 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -61.62 -36.43 80.73 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 124.023 0.827 . . . . 75.21 110.583 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -67.76 -34.81 77.53 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.157 -0.928 . . . . 73.34 111.712 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.23 -36.42 71.84 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.679 0.612 . . . . 74.04 111.657 177.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.9 t -69.56 -27.41 33.8 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 123.91 0.884 . . . . 73.32 111.979 175.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.1 mmt -69.65 -41.45 75.55 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.898 -0.137 . . . . 75.23 111.143 174.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -92.1 9.36 33.77 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 113.162 0.801 . . . . 73.23 113.162 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.33 124.96 24.14 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.069 0.461 . . . . 65.21 110.459 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -79.51 128.73 74.08 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 114.327 -1.306 . . . . 75.52 111.12 -167.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -75.8 112.39 3.5 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.865 1.71 . . . . 73.21 111.548 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -78.72 166.13 22.82 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.949 -0.76 . . . . 72.23 108.949 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.53 -12.96 61.9 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.036 0.754 . . . . 74.24 113.036 -174.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.41 -24.73 59.14 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.514 0.726 . . . . 65.11 110.873 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.73 -16.37 15.24 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 114.782 0.673 . . . . 71.21 114.782 175.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 24.8 mt-10 -112.46 -23.17 10.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.357 -0.608 . . . . 62.13 109.357 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.6 m -85.87 133.57 33.95 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.04 -0.982 . . . . 72.51 110.301 175.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.52 ' O ' ' HA ' ' A' ' 99' ' ' GLN . 94.2 m95 -120.5 156.02 32.39 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.866 -0.607 . . . . 74.52 110.038 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -111.31 107.86 17.28 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.657 -0.497 . . . . 75.11 109.657 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -96.73 97.25 9.18 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.656 -0.868 . . . . 74.34 108.656 174.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.0 m -97.54 103.73 15.69 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.188 -0.671 . . . . 75.14 109.188 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.1 p -105.5 -174.06 2.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.489 -1.232 . . . . 73.02 110.238 -173.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.87 -19.75 79.75 Favored Glycine 0 C--N 1.342 0.875 0 O-C-N 123.401 0.438 . . . . 71.44 112.691 173.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -83.71 -47.44 11.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 122.389 0.276 . . . . 74.32 110.576 175.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.16 -170.45 42.53 Favored Glycine 0 C--N 1.34 0.801 0 N-CA-C 112.179 -0.368 . . . . 74.32 112.179 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.97 121.6 42.46 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.219 0.533 . . . . 71.43 110.756 -175.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -117.52 130.66 56.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.191 -0.913 . . . . 62.45 110.027 -175.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.57 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 26.5 tt0 -92.12 103.89 16.33 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 120.952 -0.299 . . . . 74.31 111.473 -175.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.1 mt -90.14 111.38 22.5 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.8 -0.76 . . . . 70.22 109.252 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 13.8 ttp180 -117.93 121.8 41.63 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.281 -0.872 . . . . 74.4 109.176 -176.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 64.0 m -86.98 118.93 26.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.123 0.487 . . . . 74.1 110.825 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.511 -0.552 0 N-CA-C 108.548 -0.908 . . . . 71.44 108.548 -175.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.437 ' HG2' ' OD2' ' A' ' 12' ' ' ASP . 32.3 mtt-85 . . . . . 0 CA--C 1.507 -0.704 0 CA-C-O 121.355 0.598 . . . . 65.51 110.42 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -72.26 170.76 13.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.88 -1.054 . . . . 64.13 108.482 172.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 59.8 tp -64.29 -23.61 67.36 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 117.993 0.36 . . . . 75.41 111.761 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.9 mt -68.68 -41.45 79.22 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 112.116 0.413 . . . . 74.54 112.116 172.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.437 ' OD2' ' HG2' ' A' ' 8' ' ' ARG . 22.9 t70 -69.88 -29.39 66.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.308 -0.405 . . . . 61.44 110.493 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.499 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 31.9 mm-40 -65.65 -54.01 33.5 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 123.835 0.854 . . . . 70.31 112.122 176.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 2.6 pp -69.72 -21.58 63.46 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.103 0.408 . . . . 64.3 112.103 -178.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -75.12 -31.14 61.04 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 112.955 0.724 . . . . 72.2 112.955 171.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.2 p -100.56 15.0 29.49 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 121.624 -0.672 . . . . 73.24 111.234 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.02 147.23 52.44 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.04 0.448 . . . . 74.02 111.998 -176.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -107.39 -35.25 6.83 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.026 -0.988 . . . . 65.14 109.959 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 40.8 mtm -97.23 149.99 21.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.449 -0.796 . . . . 73.04 109.692 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.3 tp -152.35 121.45 6.66 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.361 -0.607 . . . . 74.0 109.361 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.468 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 36.1 mt-10 -108.46 152.85 24.15 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.278 -0.638 . . . . 74.43 109.278 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.5 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 9.4 tt -141.8 107.29 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-O 121.635 0.731 . . . . 74.43 111.249 -176.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 t70 60.85 28.58 18.33 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-O 122.389 1.09 . . . . 71.12 111.229 177.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.1 -9.96 61.63 Favored Glycine 0 CA--C 1.526 0.756 0 O-C-N 121.518 -0.739 . . . . 74.13 113.654 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 mt -102.45 118.83 37.7 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 109.718 -0.475 . . . . 74.05 109.718 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -81.67 124.96 30.03 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.041 -0.664 . . . . 75.44 110.693 -176.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.5 120.36 16.02 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.304 -0.628 . . . . 74.42 109.304 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.0 p-90 -82.01 -24.08 35.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.744 -0.662 . . . . 74.1 109.421 -176.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -150.68 135.0 17.04 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 114.804 -1.089 . . . . 75.33 108.53 173.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -129.48 158.12 40.11 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.276 -0.874 . . . . 74.23 109.26 171.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -128.72 146.03 51.0 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.307 -0.627 . . . . 75.34 109.307 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.9 mt -119.48 145.76 46.02 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.704 -0.68 . . . . 74.44 110.463 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -83.54 93.05 7.75 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.638 -0.875 . . . . 72.14 108.638 175.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -75.45 -20.97 58.51 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.598 0.592 . . . . 73.51 112.598 -173.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -67.35 -51.22 54.95 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 123.659 0.599 . . . . 73.31 110.171 172.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.9 tp -75.66 -23.79 56.29 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.698 -0.683 . . . . 74.32 111.354 -175.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.1 mt -83.16 -19.61 36.28 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 112.091 0.404 . . . . 75.12 112.091 175.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.4 -46.84 59.22 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.023 -0.732 . . . . 72.22 109.023 171.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -72.74 -25.66 61.28 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.935 0.772 . . . . 75.21 111.562 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.78 -43.01 80.76 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 123.219 0.608 . . . . 61.14 111.053 175.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.4 -40.61 70.39 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.151 -0.931 . . . . 73.32 110.71 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.6 tt -55.59 -49.68 72.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.935 1.294 . . . . 74.42 111.058 177.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.05 -39.15 75.87 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.801 -0.636 . . . . 74.2 111.399 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.3 -38.75 92.37 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.321 0.388 . . . . 54.41 111.793 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -65.31 -32.39 74.02 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.546 0.738 . . . . 73.44 111.131 174.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.92 12.3 9.57 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.953 -0.567 . . . . 74.14 112.31 177.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t70 71.49 12.55 6.53 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 125.87 1.668 . . . . 72.45 112.128 174.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -103.45 124.94 36.39 Favored Pre-proline 0 C--N 1.316 -0.88 0 O-C-N 121.658 -0.651 . . . . 74.12 109.841 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -62.7 125.34 15.86 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 121.831 1.687 . . . . 71.44 110.89 169.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -87.44 131.03 34.46 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 108.758 -0.83 . . . . 73.51 108.758 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.33 118.86 20.91 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.481 -0.781 . . . . 75.4 110.091 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.0 m -142.2 143.48 32.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.442 -0.799 . . . . 75.24 109.365 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -102.86 15.44 29.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.743 -0.208 . . . . 75.05 111.356 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.33 170.08 17.03 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 108.773 -0.825 . . . . 74.54 108.773 172.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -72.69 154.15 40.85 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 109.429 -0.582 . . . . 74.5 109.429 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.7 p -135.55 -26.08 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 C-N-CA 120.347 -0.541 . . . . 71.15 111.651 174.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.7 tp -141.48 121.71 13.89 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.98 0.419 . . . . 73.15 110.968 -172.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.26 102.18 9.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.635 -0.711 . . . . 74.41 109.5 175.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.3 m -101.29 121.72 52.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.119 0.485 . . . . 62.02 110.176 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -112.6 124.32 52.28 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.242 -0.436 . . . . 73.22 109.874 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.0 t -122.18 142.11 50.75 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.385 -0.968 . . . . 72.31 108.385 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.8 mt -79.02 130.5 35.59 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.817 -0.753 . . . . 74.11 109.207 173.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -123.16 100.26 6.77 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.453 -0.943 . . . . 73.45 108.453 -175.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.36 -87.66 1.44 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.896 -0.882 . . . . 63.13 110.896 -171.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.5 ptt-85 -142.46 -0.62 1.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.206 0.602 . . . . 73.32 111.204 175.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 t -104.26 173.19 6.41 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 110.182 -0.303 . . . . 73.3 110.182 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.41 124.36 49.48 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.807 0.813 . . . . 75.54 110.28 176.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -114.04 116.34 29.02 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.548 -1.205 . . . . 75.22 108.254 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' OE2' ' HD2' ' A' ' 71' ' ' ARG . 34.6 tt0 -120.06 124.01 44.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.867 0.365 . . . . 74.3 111.452 -171.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 14.6 m-90 -108.82 129.06 55.39 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 115.53 -0.759 . . . . 75.53 109.135 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.437 ' HD2' ' OE2' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -112.22 122.73 48.55 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.964 -0.754 . . . . 75.1 108.964 177.178 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -103.48 130.64 50.89 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 114.799 -1.091 . . . . 74.52 109.412 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.0 m -68.15 152.63 45.19 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 114.671 -1.15 . . . . 75.21 109.014 172.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -56.92 -39.35 74.3 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.512 0.725 . . . . 73.41 110.684 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -65.36 -37.77 88.06 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.937 0.895 . . . . 75.14 111.952 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.94 -36.45 72.61 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.048 0.539 . . . . 63.51 111.443 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 25.5 t -67.28 -30.3 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 123.814 0.846 . . . . 75.2 112.103 175.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mmt -70.86 -42.13 70.5 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.419 0.288 . . . . 64.22 111.475 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -88.56 6.18 39.24 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.638 0.607 . . . . 74.23 112.638 -176.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.36 131.96 49.97 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.29 0.567 . . . . 74.3 111.453 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 90' ' ' ARG . 16.0 tt0 -78.62 124.96 85.14 Favored Pre-proline 0 N--CA 1.441 -0.919 0 CA-C-N 114.115 -1.402 . . . . 72.24 110.703 -171.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -70.84 131.79 20.38 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 121.609 1.539 . . . . 65.3 110.846 173.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -98.8 170.46 8.75 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.211 -0.449 . . . . 70.31 110.114 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.44 -9.76 58.89 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.169 0.509 . . . . 71.21 111.742 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.65 -24.38 45.26 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.589 -0.732 . . . . 63.41 110.646 175.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.36 -18.4 4.44 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 115.502 0.961 . . . . 65.41 115.502 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 41.0 mt-10 -110.65 -27.74 8.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 118.134 0.967 . . . . 73.25 109.626 177.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.9 m -85.46 143.46 28.55 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.2 -0.909 . . . . 73.31 110.577 177.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.515 ' O ' ' HA ' ' A' ' 99' ' ' GLN . 82.3 m95 -131.76 150.14 52.25 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 115.605 -0.725 . . . . 73.23 110.197 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.405 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 53.6 ttt180 -108.26 99.39 8.81 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.104 0.478 . . . . 75.32 109.927 -176.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.65 100.6 13.3 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-N 115.264 -0.88 . . . . 53.32 109.986 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.8 m -101.62 110.07 21.99 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.953 0.882 . . . . 65.14 109.499 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 82.8 p -109.83 -172.05 1.96 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 113.541 -1.663 . . . . 74.02 110.295 -172.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.4 -5.35 89.85 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-N 116.359 -0.382 . . . . 64.52 112.472 171.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -92.01 -46.46 7.79 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.079 0.552 . . . . 75.51 109.991 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.15 -128.17 1.43 Allowed Glycine 0 C--O 1.22 -0.753 0 C-N-CA 121.244 -0.503 . . . . 75.41 112.931 -179.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -140.8 119.83 12.77 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 123.323 0.649 . . . . 72.31 109.41 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.439 ' HB3' ' CG1' ' A' ' 22' ' ' ILE . 69.0 m-85 -122.48 122.94 40.12 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 122.912 0.485 . . . . 71.13 110.176 -173.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.515 ' HA ' ' O ' ' A' ' 89' ' ' TRP . 17.0 tt0 -94.45 108.2 20.14 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.384 -0.526 . . . . 73.1 111.532 -174.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.468 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 49.4 mt -92.44 109.76 21.16 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.383 -0.372 . . . . 75.22 111.068 -178.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 33.1 ttp180 -112.44 115.41 28.64 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.603 0.716 . . . . 74.33 109.981 178.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.499 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 14.7 m -90.58 125.25 35.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.239 -1.346 . . . . 72.34 111.161 -174.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--O 1.217 -0.616 0 N-CA-C 109.118 -0.697 . . . . 64.44 109.118 176.63 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 . . . . . 0 CA--C 1.502 -0.899 0 N-CA-C 108.949 -0.76 . . . . 63.31 108.949 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -99.85 166.19 11.2 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 113.853 -1.521 . . . . 74.11 108.678 175.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.8 tp -68.4 -32.36 72.35 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.222 -0.659 . . . . 74.3 109.222 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.12 -35.71 77.77 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 124.548 1.155 . . . . 74.13 111.952 174.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -70.82 -41.1 71.99 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.118 0.567 . . . . 61.34 111.156 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -80.41 -31.52 37.62 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 113.822 1.045 . . . . 75.14 113.822 -170.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -69.59 -21.81 63.57 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.329 0.492 . . . . 75.23 112.329 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.97 -36.77 75.48 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.795 -0.639 . . . . 73.1 111.757 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.2 p -107.2 -11.03 15.69 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.53 0.937 . . . . 74.13 113.53 -172.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.03 163.25 27.33 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.309 0.576 . . . . 72.51 112.127 -176.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -119.24 -42.83 2.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.311 -0.859 . . . . 73.44 109.71 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.0 ttp -112.89 130.54 56.07 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.527 -0.76 . . . . 72.05 109.351 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.9 tp -131.47 117.3 18.63 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.141 -0.688 . . . . 75.35 109.141 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 25.8 mt-10 -98.06 154.83 17.45 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.566 -0.743 . . . . 60.31 110.535 -175.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.613 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 14.9 tt -134.11 107.74 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 CA-C-O 122.253 1.025 . . . . 75.21 110.569 176.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.427 ' HA ' ' HB3' ' A' ' 99' ' ' GLN . 21.7 t70 61.82 28.82 17.69 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 125.252 1.421 . . . . 72.31 111.064 -177.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.68 -10.02 66.48 Favored Glycine 0 C--N 1.335 0.525 0 CA-C-N 115.77 -0.65 . . . . 62.22 113.058 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -95.39 108.31 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.984 -1.117 . . . . 75.13 107.984 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -75.15 144.0 42.99 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.042 0.214 . . . . 74.22 110.956 -175.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.19 140.14 34.86 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.012 -0.366 . . . . 63.11 110.012 175.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -80.44 -26.8 38.16 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.638 0.586 . . . . 74.35 110.153 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -141.14 134.78 30.12 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 114.718 -1.128 . . . . 75.04 108.558 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 22.1 p90 -129.75 138.19 50.96 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 108.237 -1.023 . . . . 75.42 108.237 170.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -116.84 145.36 43.61 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 114.993 -1.003 . . . . 72.51 110.201 -173.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.5 mt -115.93 148.7 39.77 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.211 -0.904 . . . . 74.4 109.24 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.435 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 45.8 t-20 -84.4 103.89 13.95 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.861 -1.163 . . . . 73.3 107.861 174.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -68.56 -43.46 76.54 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.619 1.199 . . . . 75.43 111.924 -167.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -71.78 -37.67 70.43 Favored 'General case' 0 C--O 1.225 -0.214 0 O-C-N 123.994 0.809 . . . . 73.12 111.75 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.5 tp -75.56 -25.38 57.05 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.584 0.552 . . . . 74.4 111.122 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 36.9 mt -83.07 -20.65 34.53 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 112.338 0.496 . . . . 73.44 112.338 178.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.37 -41.48 84.97 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.925 0.766 . . . . 65.34 109.357 170.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -74.14 -30.26 62.2 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 115.175 -0.92 . . . . 74.34 110.847 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.84 89.98 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 123.293 0.637 . . . . 63.43 111.865 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -79.05 -30.32 44.01 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 115.629 -0.714 . . . . 71.13 110.661 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.55 -48.68 80.72 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.339 1.056 . . . . 74.44 110.664 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.7 -37.31 70.68 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.958 0.786 . . . . 72.12 111.322 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.86 -35.94 82.73 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 123.461 0.476 . . . . 74.31 112.099 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -76.95 -13.3 59.99 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.111 0.564 . . . . 74.12 112.072 176.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.54 15.78 25.43 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.538 0.335 . . . . 74.11 110.904 173.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.0 t70 77.86 -4.59 2.22 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 126.001 1.72 . . . . 72.21 112.555 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -87.71 140.02 31.41 Favored Pre-proline 0 C--N 1.322 -0.608 0 O-C-N 121.376 -0.828 . . . . 75.31 111.121 -175.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -71.85 126.13 11.66 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 121.692 1.594 . . . . 74.32 110.105 164.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.42 ' HD2' ' CE2' ' A' ' 74' ' ' TYR . 50.3 t80 -80.72 136.11 36.11 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.514 -0.55 . . . . 73.24 109.514 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -125.43 124.85 42.34 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.79 -0.641 . . . . 75.32 110.098 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.9 t -147.62 140.65 25.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.17 0.509 . . . . 53.21 110.256 173.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -104.83 8.06 34.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.591 -0.731 . . . . 73.21 110.933 178.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.47 166.79 16.04 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.325 -0.991 . . . . 74.03 108.325 174.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 6.3 p-90 -67.53 153.15 44.36 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-O 121.022 0.439 . . . . 74.02 111.047 -175.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.92 -23.74 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-O 121.029 0.442 . . . . 62.21 111.363 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.494 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 0.9 OUTLIER -130.89 125.64 34.06 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 109.618 -0.512 . . . . 75.34 109.618 -169.873 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' A' ' 30' ' ' PHE . . . -127.41 106.66 9.35 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 123.288 0.368 . . . . 73.32 110.695 174.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.26 106.1 19.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 109.557 -0.535 . . . . 73.13 109.557 176.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -101.69 132.31 47.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.452 -0.573 . . . . 73.23 109.452 176.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.1 t -137.75 134.76 35.67 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.019 -0.991 . . . . 71.32 109.882 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.511 ' HA ' ' O ' ' A' ' 66' ' ' THR . 9.1 mp -79.43 111.33 15.58 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.314 -0.624 . . . . 73.52 109.314 171.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -103.85 97.78 7.73 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.249 -1.019 . . . . 74.31 108.249 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.09 -89.96 1.39 Allowed Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.312 -1.115 . . . . 65.41 110.312 -168.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -133.68 -6.52 2.84 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 122.497 0.319 . . . . 73.43 111.419 175.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.511 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 15.0 t -95.28 145.1 25.32 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 121.081 0.467 . . . . 74.42 111.788 -173.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -90.09 101.16 13.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.337 0.589 . . . . 74.11 109.65 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -97.56 115.13 27.26 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.046 -0.979 . . . . 72.21 109.248 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -117.26 133.12 56.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.639 -0.71 . . . . 71.31 110.62 -176.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 20.7 m-90 -112.97 123.63 50.77 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.467 -0.938 . . . . 75.25 108.467 171.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 15.3 mtm180 -116.82 124.88 50.63 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-O 121.657 0.741 . . . . 73.24 111.071 176.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -110.35 150.02 29.39 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-N 114.15 -1.386 . . . . 74.24 110.428 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.8 p -78.11 164.76 24.72 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 124.196 0.935 . . . . 64.25 110.001 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.42 ' CE2' ' HD2' ' A' ' 50' ' ' PHE . 91.0 t80 -66.03 -39.94 90.61 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.923 0.764 . . . . 54.43 112.08 -175.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -76.68 -18.29 58.63 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 112.766 0.654 . . . . 73.14 112.766 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.38 -32.28 71.21 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 123.437 0.461 . . . . 73.32 110.607 170.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.0 t -76.39 -28.13 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 123.434 0.694 . . . . 74.41 110.804 172.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.4 mmt -67.15 -42.69 83.94 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 122.471 0.308 . . . . 75.24 111.37 175.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -90.48 7.69 37.6 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 123.563 0.54 . . . . 75.55 112.454 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.05 124.76 21.43 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 123.514 0.509 . . . . 72.05 111.01 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.425 ' OE1' ' HD3' ' A' ' 90' ' ' ARG . 36.2 mt-10 -92.5 122.13 64.97 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.044 -0.98 . . . . 71.13 110.686 -171.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -70.89 115.04 4.08 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 122.272 1.981 . . . . 72.42 111.667 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -74.88 172.75 11.68 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.491 -0.777 . . . . 75.05 110.529 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.08 -4.93 41.41 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.752 -0.658 . . . . 73.33 112.38 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -76.54 -23.98 53.62 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.961 0.504 . . . . 73.2 111.231 173.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.45 -15.13 36.78 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 115.054 0.781 . . . . 74.33 115.054 176.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -120.68 -10.25 9.22 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 117.874 0.837 . . . . 73.14 109.543 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.5 t -99.03 146.92 25.55 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.402 -0.817 . . . . 74.4 110.601 -174.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -131.57 142.09 49.83 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.578 -0.737 . . . . 73.54 110.462 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.425 ' HD3' ' OE1' ' A' ' 81' ' ' GLU . 34.3 ttt180 -97.1 107.16 19.63 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.845 -0.798 . . . . 73.42 108.845 171.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.89 100.23 13.12 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.448 -0.945 . . . . 70.41 108.448 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 t -91.09 129.31 37.1 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.873 0.844 . . . . 72.11 109.697 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.4 p -129.72 178.97 6.11 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.224 -1.353 . . . . 63.01 109.031 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.76 -12.62 84.28 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.939 -0.648 . . . . 44.5 111.636 169.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -78.51 -45.76 21.19 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 123.27 0.628 . . . . 72.11 110.008 174.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.24 -113.14 0.52 Allowed Glycine 0 N--CA 1.447 -0.588 0 O-C-N 123.39 0.431 . . . . 63.35 112.17 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.4 136.77 17.66 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 123.694 0.798 . . . . 73.35 109.967 -173.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -139.72 122.97 16.98 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.722 -0.672 . . . . 73.33 109.804 -175.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.613 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 18.6 tt0 -83.69 103.53 13.07 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.705 -0.622 . . . . 75.21 111.36 -178.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 32.5 mt -92.17 111.0 22.39 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.12 -0.632 . . . . 74.51 109.51 176.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -114.7 115.64 27.41 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-O 121.072 0.463 . . . . 74.34 110.132 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 23.2 m -83.43 131.04 35.05 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 114.925 -1.034 . . . . 75.33 110.276 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.46 -0.791 . . . . 74.31 109.662 -178.739 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 113.892 1.071 . . . . 74.04 113.892 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.525 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 95.9 m-85 -77.77 150.36 34.35 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.661 -1.154 . . . . 73.12 108.191 177.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' A' ' 89' ' ' TRP . 55.9 tp -61.9 -27.77 69.05 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 117.798 0.272 . . . . 73.11 110.866 176.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 tp -65.74 -35.83 81.84 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 123.532 0.52 . . . . 75.53 111.808 172.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.58 -32.67 62.46 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.022 0.529 . . . . 74.52 110.782 176.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 52.5 mm-40 -68.07 -40.26 82.76 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.702 0.626 . . . . 73.21 112.292 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 pp -75.07 -22.06 58.58 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.642 0.589 . . . . 73.32 111.969 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -71.3 -22.72 61.91 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.563 -0.744 . . . . 73.03 112.103 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.3 p -123.62 27.91 7.18 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.861 -0.609 . . . . 71.44 110.709 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.68 142.95 40.13 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.974 0.416 . . . . 73.03 111.857 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -99.12 -46.03 5.71 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 115.385 -0.825 . . . . 62.2 110.798 174.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.8 ttp -124.3 129.79 51.36 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.461 -0.57 . . . . 64.3 109.461 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.1 tp -114.15 125.13 53.6 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.274 -0.639 . . . . 73.11 109.274 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.448 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 10.3 tt0 -101.79 151.09 22.47 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.993 -1.003 . . . . 74.22 111.141 -172.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.535 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 23.9 mt -124.85 96.83 4.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 123.471 0.708 . . . . 73.31 109.814 169.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 t70 49.98 63.88 2.01 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.501 1.52 . . . . 64.41 113.009 174.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.01 -23.19 6.11 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 115.478 -0.783 . . . . 74.05 114.423 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 tt -105.21 107.57 18.63 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.06 -1.089 . . . . 75.12 108.06 -177.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 48.5 p-80 -78.96 143.37 35.82 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.697 -0.801 . . . . 73.34 110.762 -177.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.07 134.18 35.03 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.195 -1.039 . . . . 75.21 108.195 173.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.1 p-90 -73.17 -26.83 61.33 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.762 0.315 . . . . 74.42 110.758 -174.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -139.01 140.33 38.13 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.363 -0.606 . . . . 74.44 109.363 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -141.01 144.63 35.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.201 0.524 . . . . 73.13 109.621 173.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -127.38 139.54 52.78 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.744 -0.662 . . . . 74.12 110.095 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.5 mt -102.66 139.03 38.78 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.835 -1.075 . . . . 74.13 108.292 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.572 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 49.5 t-20 -79.46 89.71 5.04 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 108.172 -1.047 . . . . 73.13 108.172 172.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.78 -21.71 57.13 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 123.909 0.756 . . . . 75.12 111.985 -170.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -70.24 -40.44 74.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.99 0.806 . . . . 71.03 110.297 174.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.9 tp -76.5 -26.78 55.63 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.815 -0.63 . . . . 53.11 111.06 177.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 25.5 mt -84.07 -17.14 41.26 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.744 0.307 . . . . 75.34 111.664 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.83 -34.46 71.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.494 -0.776 . . . . 72.55 109.316 171.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -83.75 -28.69 28.02 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 114.761 -1.109 . . . . 74.3 111.133 177.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.1 81.81 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.03 0.443 . . . . 74.25 110.825 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -77.09 -35.02 56.82 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 114.889 -1.05 . . . . 74.21 110.336 177.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.8 -45.16 93.19 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.083 0.953 . . . . 74.4 110.703 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.06 93.13 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.455 -0.793 . . . . 74.12 111.278 178.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.61 68.18 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.466 0.543 . . . . 72.53 112.466 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -70.47 -32.22 69.67 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.152 0.581 . . . . 74.44 110.835 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.19 8.7 31.69 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.858 -0.61 . . . . 52.12 112.375 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t70 68.38 24.93 7.1 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.664 1.186 . . . . 53.33 111.378 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -107.62 137.93 19.84 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.539 -0.755 . . . . 74.44 109.985 -177.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.27 124.62 7.93 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.112 1.875 . . . . 75.54 111.444 173.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -94.89 134.8 37.14 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.704 -0.48 . . . . 74.31 109.704 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.72 131.16 18.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.462 -0.79 . . . . 61.01 109.31 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 71.1 m -145.89 132.73 20.1 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 121.11 0.481 . . . . 70.45 111.311 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -82.08 -1.46 48.63 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.871 -0.604 . . . . 73.21 111.947 175.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.78 163.86 27.4 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 109.597 -0.52 . . . . 73.34 109.597 171.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.3 p-90 -72.27 151.89 42.51 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.742 0.417 . . . . 74.13 110.834 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.6 p -131.13 -26.35 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.02 0.438 . . . . 65.42 110.91 172.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.71 129.42 47.09 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.346 -0.388 . . . . 73.51 110.878 -175.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -129.3 100.85 5.74 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.828 0.823 . . . . 75.11 109.547 171.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.412 HG21 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -103.12 126.93 57.37 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 114.108 -1.405 . . . . 73.23 108.721 -179.619 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -121.99 144.5 48.85 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.297 0.57 . . . . 71.02 110.912 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 t -140.72 119.54 12.57 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.076 -0.965 . . . . 64.41 109.611 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.481 ' HA ' ' O ' ' A' ' 66' ' ' THR . 6.3 mp -89.09 106.49 18.47 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.963 -0.695 . . . . 75.35 109.595 174.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -105.07 107.6 18.67 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.992 -1.114 . . . . 72.02 107.992 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.94 -93.82 1.19 Allowed Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.17 -1.172 . . . . 72.43 110.17 -169.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -130.83 -16.02 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 122.792 0.437 . . . . 74.51 110.971 173.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.481 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 6.1 t -77.28 135.41 38.42 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.409 0.623 . . . . 74.35 110.944 -173.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 63.2 ttt-85 -95.81 105.66 17.7 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.906 -0.588 . . . . 74.14 109.518 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.96 112.73 24.79 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.695 -0.684 . . . . 75.41 109.16 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -113.43 126.06 54.92 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.092 0.472 . . . . 62.42 109.746 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.412 ' HB2' HG21 ' A' ' 59' ' ' VAL . 8.9 m-90 -108.18 123.22 48.41 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.063 -0.971 . . . . 73.02 108.504 172.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -111.45 117.33 32.74 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.903 -0.777 . . . . 75.03 108.903 174.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -104.27 138.94 39.98 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.925 -1.034 . . . . 72.44 109.725 -177.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.4 m -72.95 156.81 38.47 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.937 0.773 . . . . 75.52 110.307 176.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -64.85 -36.22 83.64 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.128 -0.487 . . . . 73.54 110.573 175.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -66.82 -30.51 70.72 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.034 -0.985 . . . . 73.34 110.825 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.56 -24.39 53.57 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 123.684 0.615 . . . . 73.12 111.815 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.5 t -82.18 -25.88 9.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.236 0.614 . . . . 72.41 110.877 175.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.8 mmt -71.85 -33.76 68.71 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.124 -0.489 . . . . 73.52 111.499 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -91.84 4.17 53.48 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.519 0.563 . . . . 72.12 112.519 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.48 115.37 4.18 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.949 0.404 . . . . 72.41 111.915 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -85.23 123.85 72.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 114.869 -1.06 . . . . 72.21 111.61 -168.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -63.37 117.0 3.96 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 123.08 2.52 . . . . 73.15 113.34 175.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -75.94 170.4 16.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.981 -0.554 . . . . 74.1 109.771 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.01 -7.13 53.94 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.815 -0.63 . . . . 61.51 111.364 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -74.95 -25.7 59.07 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.127 -0.942 . . . . 75.0 110.402 171.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.58 -19.14 5.1 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 115.339 0.895 . . . . 73.04 115.339 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -112.53 -16.25 12.9 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 118.118 0.959 . . . . 74.21 110.598 177.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.4 m -96.17 143.31 27.4 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.566 -0.743 . . . . 73.43 110.451 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.489 ' CD1' HD11 ' A' ' 10' ' ' LEU . 62.1 m95 -129.89 130.43 45.17 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 115.03 -0.986 . . . . 71.4 109.642 -174.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -84.09 104.9 14.53 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.135 -0.691 . . . . 70.4 109.135 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.42 99.18 11.98 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 108.236 -1.024 . . . . 71.45 108.236 178.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.6 p -83.42 133.34 34.93 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-O 121.362 0.601 . . . . 71.44 110.257 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.3 p -131.67 -178.72 4.99 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.73 -1.123 . . . . 72.34 109.491 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.3 -13.65 82.63 Favored Glycine 0 C--O 1.222 -0.61 0 N-CA-C 111.878 -0.489 . . . . 73.11 111.878 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -85.98 -41.66 14.69 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 122.881 0.473 . . . . 74.32 110.944 175.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 171.18 -116.01 0.61 Allowed Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.929 -0.653 . . . . 61.01 112.825 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -155.48 121.65 5.16 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 122.939 0.496 . . . . 73.21 111.003 -176.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -109.34 164.36 12.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.57 -0.741 . . . . 74.21 110.579 -176.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.535 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 24.8 tt0 -111.05 104.2 12.74 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.054 -0.521 . . . . 73.34 109.722 173.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 32.8 mt -92.86 116.78 29.35 Favored 'General case' 0 C--O 1.21 -1.026 0 N-CA-C 109.105 -0.702 . . . . 72.51 109.105 175.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -121.2 121.89 38.77 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 121.521 0.677 . . . . 75.22 110.651 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 3.3 p -83.72 116.13 22.52 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.233 -1.349 . . . . 73.04 111.467 -176.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.3 mt . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.059 -0.973 . . . . 72.25 110.277 -176.245 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 . . . . . 0 CA--C 1.499 -1.011 0 CA-C-O 121.911 0.862 . . . . 74.34 109.067 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -97.29 -177.92 4.0 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.102 -1.408 . . . . 64.44 107.203 169.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 89' ' ' TRP . 42.8 tp -66.83 -26.91 67.15 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.383 -0.527 . . . . 74.01 110.153 173.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.0 tp -56.65 -47.52 79.59 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 123.906 0.754 . . . . 74.42 111.783 172.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.81 -29.59 69.57 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.802 0.441 . . . . 74.05 111.574 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.498 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 9.8 mm-40 -88.11 -29.1 20.85 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.947 0.721 . . . . 71.01 112.947 -174.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 3.3 pp -77.2 -20.47 55.31 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.316 0.507 . . . . 73.25 111.177 174.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -66.28 -21.32 66.27 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 123.579 0.752 . . . . 73.33 112.621 172.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.6 p -124.86 4.49 8.08 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 112.599 0.592 . . . . 74.34 112.599 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.23 104.47 2.65 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.187 0.449 . . . . 71.02 111.347 -177.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -73.26 -44.75 58.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.744 0.783 . . . . 61.42 109.067 175.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 28.2 ttp -120.6 141.65 50.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.292 -1.322 . . . . 63.42 108.178 170.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.9 tp -125.19 138.82 54.13 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.789 -0.819 . . . . 74.24 108.789 176.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 10.2 tt0 -120.6 148.04 44.41 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.864 -0.791 . . . . 75.41 108.864 -176.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.472 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 17.5 tt -136.05 109.92 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-O 122.086 0.946 . . . . 75.13 111.264 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 60.69 40.28 16.54 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 125.018 1.327 . . . . 74.54 111.52 176.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.01 3.13 88.0 Favored Glycine 0 CA--C 1.526 0.781 0 CA-C-N 115.934 -0.575 . . . . 63.23 113.75 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 tt -121.82 115.21 22.22 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.798 -1.186 . . . . 74.52 107.798 -176.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -70.95 146.57 49.4 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 120.942 -0.303 . . . . 72.44 111.044 -176.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.77 155.06 29.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 75.24 109.857 174.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -97.32 -29.95 13.24 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.66 -0.867 . . . . 75.15 108.66 173.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -149.65 159.01 44.68 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.091 -0.707 . . . . 74.45 109.091 169.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -148.28 149.53 32.02 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.282 -0.636 . . . . 75.24 109.282 169.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -124.58 140.47 52.91 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.866 -0.606 . . . . 72.01 110.506 -175.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 88.4 mt -106.28 152.29 23.71 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.72 -0.474 . . . . 65.12 109.72 174.091 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.428 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.9 t-20 -77.89 94.33 4.54 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 106.981 -1.488 . . . . 73.22 106.981 170.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.96 -42.57 84.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.142 -1.39 . . . . 74.4 111.405 -169.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -61.66 -39.22 90.61 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 124.79 1.306 . . . . 65.23 112.229 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.1 tp -72.54 -25.27 61.31 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 122.493 0.317 . . . . 70.54 111.289 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 73.8 mt -84.02 -20.84 32.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.368 -0.378 . . . . 74.52 111.584 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -69.4 -36.72 77.01 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 109.785 -0.45 . . . . 51.54 109.785 167.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -77.72 -27.87 50.73 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.736 0.647 . . . . 74.53 111.738 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.1 -39.55 68.84 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 122.976 0.51 . . . . 71.31 111.295 177.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -74.22 -33.89 63.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.32 -0.854 . . . . 64.31 110.708 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.05 -43.27 96.03 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.005 0.922 . . . . 64.13 110.847 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.85 -39.88 87.74 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.502 -0.772 . . . . 74.42 110.971 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.38 -32.87 74.53 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 123.415 0.447 . . . . 75.23 112.011 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.35 -24.33 62.07 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.079 0.552 . . . . 74.25 111.967 173.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.41 9.99 36.16 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.111 0.411 . . . . 72.0 112.111 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 64.18 37.09 9.08 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 125.126 1.37 . . . . 72.13 111.066 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -117.06 135.28 23.03 Favored Pre-proline 0 C--N 1.312 -1.027 0 CA-C-N 114.956 -1.02 . . . . 73.35 109.233 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -75.13 124.22 8.38 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.4 1.4 . . . . 72.01 110.291 168.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -87.79 130.41 34.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 109.48 -0.563 . . . . 73.32 109.48 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.37 122.67 21.74 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.589 -0.732 . . . . 72.14 109.521 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -137.35 140.6 41.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.337 -0.392 . . . . 75.43 110.052 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -94.97 9.58 38.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.784 0.326 . . . . 71.3 110.913 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -78.18 162.4 26.63 Favored 'General case' 0 C--N 1.343 0.283 0 N-CA-C 108.778 -0.823 . . . . 74.34 108.778 174.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -65.38 151.66 45.75 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 123.599 0.562 . . . . 73.11 109.63 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 32' ' ' LEU . 8.2 p -135.28 -18.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 O-C-N 122.25 -0.281 . . . . 72.11 111.039 175.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.6 tp -150.85 113.86 4.78 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 121.568 0.699 . . . . 75.51 111.697 -172.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.4 106.03 16.37 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 114.596 -1.183 . . . . 70.31 108.742 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.1 t -99.09 109.4 24.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.383 -0.969 . . . . 74.24 108.383 -174.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -111.09 126.27 54.65 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.979 0.895 . . . . 64.04 110.985 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.9 m -130.94 159.27 37.94 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.698 -1.137 . . . . 75.45 109.141 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.5 mt -112.2 106.28 14.83 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.439 -0.578 . . . . 74.5 109.439 173.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -95.54 94.4 7.75 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 122.261 1.029 . . . . 75.41 110.23 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.75 -96.14 2.17 Favored Glycine 0 N--CA 1.434 -1.489 0 N-CA-C 108.687 -1.765 . . . . 73.14 108.687 -177.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 25.15 2.11 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 122.226 1.013 . . . . 73.04 108.366 166.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -95.85 127.59 42.0 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 114.025 -1.443 . . . . 71.53 109.31 176.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -91.19 108.5 19.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.313 -0.625 . . . . 71.55 109.313 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -117.71 120.53 38.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.965 -1.016 . . . . 74.21 110.258 -172.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -125.71 129.21 49.08 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 120.98 0.419 . . . . 72.3 110.172 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 17.9 m-90 -107.38 122.21 46.13 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.326 -0.852 . . . . 73.42 109.118 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -102.05 120.59 40.68 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.375 0.607 . . . . 73.44 110.018 175.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -108.41 142.91 38.06 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.624 -1.171 . . . . 74.52 109.38 178.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 98.4 p -85.29 166.73 16.24 Favored 'General case' 0 N--CA 1.443 -0.819 0 O-C-N 123.964 0.79 . . . . 71.43 109.714 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -64.1 -36.19 83.23 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.724 -0.671 . . . . 73.24 110.298 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.45 -35.92 81.48 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 112.042 0.386 . . . . 74.51 112.042 177.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.9 -35.78 74.9 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 123.577 0.548 . . . . 71.22 112.428 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.6 m -78.01 -18.7 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 112.174 0.435 . . . . 75.53 112.174 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.9 mmt -76.88 -37.0 56.33 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 122.527 0.331 . . . . 70.05 111.115 173.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -100.84 1.94 40.57 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.486 0.55 . . . . 63.33 112.486 -178.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.25 125.68 23.83 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 123.043 0.537 . . . . 74.42 110.883 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -75.61 120.78 83.21 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.594 1.184 . . . . 75.43 111.352 -162.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -62.7 117.64 4.53 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.615 2.21 . . . . 72.25 111.41 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -89.0 162.56 15.98 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.787 -0.642 . . . . 74.55 109.323 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.89 -6.69 48.76 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.605 0.594 . . . . 73.51 112.605 -176.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.8 -24.2 61.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.482 0.713 . . . . 71.51 110.879 175.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.27 -14.97 31.12 Favored Glycine 0 C--N 1.346 1.095 0 N-CA-C 114.308 0.483 . . . . 63.22 114.308 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -120.68 -14.42 8.59 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.663 -0.495 . . . . 75.42 109.663 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 63.6 m -98.14 148.38 23.62 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.713 -0.676 . . . . 73.44 111.689 -177.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.505 ' CD1' HD11 ' A' ' 10' ' ' LEU . 54.0 m95 -135.34 146.71 48.68 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 114.718 -1.128 . . . . 73.1 108.279 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -109.76 113.03 25.44 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 120.065 -0.654 . . . . 72.42 110.44 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.72 97.97 11.34 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 114.75 -1.114 . . . . 62.04 108.229 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.1 m -98.76 109.89 22.58 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.267 -1.012 . . . . 74.44 108.267 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.3 p -112.77 -171.63 1.9 Allowed 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 113.542 -1.663 . . . . 73.21 109.081 -173.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.45 -13.26 83.73 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.891 -0.671 . . . . 71.23 112.245 174.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -99.83 -2.1 35.84 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.571 0.349 . . . . 63.23 111.894 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.73 -131.56 4.52 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 120.773 -0.727 . . . . 72.42 113.196 173.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.69 114.67 4.7 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.587 0.755 . . . . 75.23 109.492 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -118.69 118.11 30.75 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.292 0.637 . . . . 72.24 110.075 -172.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 24.7 tt0 -86.54 105.34 16.76 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-O 121.022 0.439 . . . . 74.12 111.797 -175.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.405 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 24.9 mt -91.37 111.2 22.59 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.423 0.63 . . . . 72.24 110.644 178.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -112.38 121.98 46.41 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 114.941 -1.027 . . . . 62.14 110.003 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 9.4 p -82.56 131.94 35.2 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.557 -0.747 . . . . 70.13 109.763 177.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.8 mt . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.261 -0.881 . . . . 74.31 109.441 -176.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.1 mtt85 . . . . . 0 CA--C 1.51 -0.589 0 CA-C-O 122.344 1.069 . . . . 75.44 110.839 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -98.1 169.06 9.87 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.167 -1.379 . . . . 74.5 108.038 173.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.527 HD11 ' CD1' ' A' ' 89' ' ' TRP . 51.1 tp -69.75 -29.08 66.35 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.529 -0.545 . . . . 72.24 109.529 169.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.1 tp -57.65 -44.5 85.69 Favored 'General case' 0 C--O 1.221 -0.423 0 O-C-N 123.894 0.746 . . . . 74.2 111.44 171.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -66.99 -36.32 81.9 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.038 -0.528 . . . . 62.14 111.255 177.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.08 -41.9 60.99 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 113.649 0.981 . . . . 73.12 113.649 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 2.9 pp -68.7 -21.52 64.41 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 112.705 0.632 . . . . 75.23 112.705 -175.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.59 -43.03 93.83 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.947 0.899 . . . . 74.2 112.439 177.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 p -107.08 -19.96 13.45 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 112.769 0.655 . . . . 74.14 112.769 -175.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.15 133.26 54.87 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.394 0.678 . . . . 74.23 112.454 -176.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -91.12 -54.35 3.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.725 0.774 . . . . 74.52 109.954 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.4 ttp -108.86 137.4 46.85 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.726 -1.124 . . . . 74.13 109.272 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mt -122.6 143.02 50.02 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.803 -0.443 . . . . 75.24 109.803 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.537 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 74.9 mt-10 -109.09 154.8 21.76 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.659 -0.867 . . . . 74.5 108.659 172.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.465 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 12.0 tt -144.85 95.15 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-O 122.103 0.954 . . . . 75.24 112.183 173.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.439 ' HB2' ' H ' ' A' ' 99' ' ' GLN . 38.9 t70 52.03 59.2 4.71 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 113.989 -1.46 . . . . 65.31 111.641 178.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.65 -24.74 11.2 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-N 114.866 -1.061 . . . . 72.22 114.126 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.73 155.97 26.48 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 117.366 0.583 . . . . 73.35 110.18 176.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -119.73 112.74 19.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.4 -0.364 . . . . 75.13 110.88 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.65 115.3 19.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.634 -0.506 . . . . 74.24 109.634 174.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -77.9 -25.14 48.3 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.308 -0.86 . . . . 75.0 109.341 -178.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -149.53 167.54 25.99 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.693 -1.14 . . . . 73.11 108.411 176.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -158.04 151.36 23.25 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 123.706 0.628 . . . . 72.03 109.989 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -111.57 134.46 53.13 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.185 -0.672 . . . . 70.12 109.185 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.5 mt -104.36 150.86 24.12 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.285 -0.87 . . . . 72.2 110.675 176.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.562 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 51.0 t-20 -84.33 81.92 8.61 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.568 -1.271 . . . . 62.24 107.568 169.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -77.8 -17.95 56.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.283 -0.871 . . . . 73.31 112.238 -169.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -65.34 -44.8 86.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.137 -0.938 . . . . 74.13 109.769 170.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.2 tp -76.87 -25.18 52.8 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.327 -0.851 . . . . 71.02 111.462 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 69.1 mt -78.83 -28.62 44.44 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.252 0.464 . . . . 73.23 112.252 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.74 -43.07 99.77 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.782 0.676 . . . . 74.23 110.153 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -72.51 -27.6 62.36 Favored 'General case' 0 C--O 1.225 -0.235 0 O-C-N 124.286 0.991 . . . . 73.44 111.522 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.22 -46.11 78.37 Favored 'General case' 0 CA--C 1.518 -0.28 0 O-C-N 123.732 0.645 . . . . 62.33 111.496 178.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.15 -26.59 39.31 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.366 -0.833 . . . . 61.22 110.664 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.0 -50.51 73.1 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.308 1.043 . . . . 74.03 110.247 173.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.28 -35.87 78.52 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.567 -0.742 . . . . 64.14 111.29 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.66 75.25 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.534 0.568 . . . . 62.43 112.534 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.39 -32.13 71.98 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.041 -0.527 . . . . 75.24 111.299 171.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.62 7.65 16.71 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.394 0.678 . . . . 72.53 112.791 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.2 t70 70.37 23.22 5.04 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.103 1.361 . . . . 75.41 111.606 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -113.79 129.53 24.64 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.789 -0.641 . . . . 73.32 109.599 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -64.7 125.62 15.21 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.303 2.002 . . . . 73.44 111.613 173.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -93.93 125.97 38.87 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.884 -0.784 . . . . 74.54 108.884 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -140.24 119.19 12.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.692 -0.686 . . . . 75.51 109.814 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 74' ' ' TYR . 42.2 t -128.32 147.86 50.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.466 -0.788 . . . . 71.1 109.69 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -95.35 -4.0 46.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.234 -0.439 . . . . 71.25 111.089 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -74.28 164.49 26.54 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.55 -0.537 . . . . 73.03 109.55 176.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -67.29 159.95 28.16 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 123.231 0.332 . . . . 73.22 110.686 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.7 p -137.86 -31.01 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.854 0.359 . . . . 64.34 111.899 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.4 tp -140.67 124.21 16.93 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.11 0.481 . . . . 75.02 111.029 -172.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.1 107.41 13.01 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.187 -0.915 . . . . 73.14 108.871 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -100.1 126.57 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 120.923 0.392 . . . . 73.11 110.365 -176.546 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -110.41 115.77 30.25 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.601 0.715 . . . . 75.52 110.814 -177.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.7 m -122.62 134.02 54.52 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.651 -1.159 . . . . 74.43 108.671 173.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.5 mt -75.72 107.07 7.63 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.895 -0.779 . . . . 71.32 108.895 173.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -108.96 104.75 14.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.342 -0.844 . . . . 71.25 108.865 -179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.59 -115.13 3.96 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.276 -1.129 . . . . 75.41 110.276 -169.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -118.53 5.29 11.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.663 0.744 . . . . 75.31 109.313 170.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -92.63 141.79 28.09 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.556 -1.202 . . . . 71.34 110.523 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.468 ' HD2' ' H ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -91.39 98.95 12.01 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 122.3 1.047 . . . . 75.32 108.532 170.365 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -96.03 121.95 38.34 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.691 -1.141 . . . . 75.11 109.557 -171.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 30.1 tt0 -115.24 133.14 56.31 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.245 -0.889 . . . . 73.12 110.263 -176.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 19.8 m-90 -110.45 125.27 53.1 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.163 -0.68 . . . . 74.11 109.163 174.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -104.3 124.3 48.93 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.017 -0.992 . . . . 73.33 109.511 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -111.27 137.66 48.72 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.119 -0.946 . . . . 73.41 110.206 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.2 m -74.92 159.12 32.24 Favored 'General case' 0 N--CA 1.444 -0.743 0 O-C-N 124.199 0.937 . . . . 71.32 109.411 173.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.441 ' HB3' ' O ' ' A' ' 52' ' ' SER . 51.1 t80 -65.47 -37.67 87.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.231 -0.44 . . . . 72.3 111.192 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.01 -20.55 60.29 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.482 0.549 . . . . 62.12 112.482 176.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.96 -35.51 62.11 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.277 0.56 . . . . 75.2 110.784 173.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.8 t -74.7 -24.24 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 CA-C-N 115.926 -0.579 . . . . 72.14 111.195 175.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.8 mmt -71.11 -37.43 72.35 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.489 0.551 . . . . 73.24 112.489 173.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -88.81 6.49 38.72 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.181 0.437 . . . . 51.01 112.181 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.65 116.81 5.07 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.726 0.298 . . . . 74.43 111.61 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -80.21 125.05 82.26 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.303 -0.862 . . . . 63.43 111.512 -175.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -67.14 125.48 13.63 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 121.715 1.61 . . . . 73.14 110.61 171.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -82.24 176.47 9.44 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.661 -0.496 . . . . 72.42 109.661 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.25 -22.32 61.99 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.526 0.565 . . . . 71.13 112.526 -175.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -80.61 -21.05 41.91 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.662 -0.244 . . . . 50.13 111.515 174.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.84 -13.67 55.52 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 115.144 0.818 . . . . 73.42 115.144 173.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -99.03 -30.71 12.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.373 0.587 . . . . 73.4 110.112 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.0 m -88.55 143.35 27.02 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.652 -0.704 . . . . 63.35 110.529 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.527 ' CD1' HD11 ' A' ' 10' ' ' LEU . 60.4 m95 -125.78 129.79 50.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.447 -0.797 . . . . 74.41 109.048 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -88.12 103.69 15.98 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.398 -0.593 . . . . 74.32 109.398 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.71 100.3 13.17 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 114.932 -1.031 . . . . 74.11 108.339 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.8 p -91.12 128.0 36.77 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.068 -0.969 . . . . 74.43 108.978 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 37.8 p -128.34 -173.82 3.05 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.379 -0.828 . . . . 63.45 110.79 -171.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.5 -19.17 76.71 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.592 -0.603 . . . . 43.0 111.592 169.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -77.81 -41.3 37.64 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.073 0.549 . . . . 72.34 111.621 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.32 -117.08 0.75 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.204 -0.522 . . . . 41.51 112.182 -176.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -143.92 133.79 23.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.343 0.592 . . . . 72.41 110.64 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.428 ' HB3' ' CG1' ' A' ' 22' ' ' ILE . 86.6 m-85 -131.42 128.97 40.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.053 -0.976 . . . . 70.41 108.939 -177.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.465 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 22.5 tt0 -95.91 101.79 13.51 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.321 -0.552 . . . . 74.25 110.189 -176.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.537 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 41.6 mt -92.49 109.84 21.24 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.058 -0.519 . . . . 75.42 109.809 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -112.75 118.08 34.0 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.475 0.655 . . . . 75.3 110.147 177.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.6 p -83.13 124.45 30.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.391 -1.277 . . . . 64.04 111.243 -177.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 75.0 mt . . . . . 0 C--N 1.318 -0.765 0 CA-C-N 115.12 -0.945 . . . . 64.31 109.577 -176.198 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 114.473 1.286 . . . . 72.22 114.473 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -86.09 171.93 10.98 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.006 -1.452 . . . . 74.3 107.412 174.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.453 HD11 ' CD1' ' A' ' 89' ' ' TRP . 62.9 tp -68.97 -28.37 66.56 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.337 0.971 . . . . 63.25 110.002 170.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.1 tp -63.59 -41.86 98.32 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.232 -0.895 . . . . 75.23 111.348 172.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.18 -29.46 60.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.67 -0.696 . . . . 71.32 110.992 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.459 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 3.0 mm-40 -68.86 -41.73 78.03 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 115.559 -0.746 . . . . 74.34 112.695 178.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 pp -72.66 -23.93 60.97 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.059 0.391 . . . . 63.42 111.683 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -66.98 -27.87 67.8 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.992 0.807 . . . . 72.03 111.955 172.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.6 p -122.67 28.7 7.19 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 116.441 -0.345 . . . . 75.44 110.988 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -104.43 148.14 26.76 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.751 -0.593 . . . . 74.41 110.988 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -110.47 -42.64 4.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.283 0.563 . . . . 74.23 110.366 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.9 ttp -124.77 129.34 50.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.102 -0.703 . . . . 63.11 109.102 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -115.11 128.38 56.18 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.313 -0.255 . . . . 75.14 110.313 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -104.64 148.52 26.45 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.929 -0.578 . . . . 71.13 109.726 172.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.521 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 15.5 tt -135.11 105.5 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 CA-C-O 122.328 1.061 . . . . 71.01 109.212 177.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 62.98 26.44 15.51 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 113.838 -1.528 . . . . 73.2 111.264 -173.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.23 -20.08 51.91 Favored Glycine 0 C--N 1.341 0.851 0 CA-C-N 116.147 -0.478 . . . . 75.11 112.746 -177.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.03 107.5 10.64 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.354 -0.61 . . . . 74.2 109.354 178.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -80.91 125.21 29.83 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.376 -0.53 . . . . 71.4 110.51 -176.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.41 135.14 44.18 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.373 -0.83 . . . . 74.12 109.712 174.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 29.1 p-90 -73.94 -28.94 61.75 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 109.166 -0.679 . . . . 75.31 109.166 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -159.03 139.66 12.52 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.222 -0.899 . . . . 75.13 109.217 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -119.47 163.03 17.87 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.452 -0.794 . . . . 63.1 109.216 171.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -132.76 136.25 46.22 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.013 -0.736 . . . . 73.23 109.013 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.1 mt -108.77 152.19 25.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.127 -0.488 . . . . 71.25 110.381 -176.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -86.88 85.18 7.25 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 107.824 -1.176 . . . . 73.25 107.824 171.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.22 -24.6 64.04 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 124.149 0.98 . . . . 75.0 112.681 -173.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -71.82 -39.44 69.82 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.993 0.808 . . . . 71.53 111.347 176.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 tp -79.39 -24.26 42.71 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.248 -0.433 . . . . 75.05 110.884 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.9 mt -82.34 -27.2 32.36 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.047 0.539 . . . . 74.22 111.432 176.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.18 -40.67 94.58 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.415 -0.811 . . . . 61.3 109.387 171.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -80.64 -19.52 45.14 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 115.018 -0.992 . . . . 71.04 112.009 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.76 -38.37 64.73 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 123.1 0.25 . . . . 60.44 110.785 175.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.29 -36.7 61.12 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.773 -0.648 . . . . 73.22 110.685 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.2 tt -56.29 -45.48 80.15 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.762 1.225 . . . . 74.32 110.725 172.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.95 73.05 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.394 -0.821 . . . . 63.13 111.792 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.96 74.59 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.208 0.447 . . . . 72.53 112.208 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -77.07 -22.15 53.31 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.665 -0.698 . . . . 73.12 111.625 174.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.64 9.67 33.81 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.888 -0.596 . . . . 72.42 111.945 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 66.86 25.97 9.41 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.795 1.238 . . . . 74.44 111.401 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -109.46 122.55 39.14 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.863 -0.608 . . . . 73.52 109.93 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -66.12 124.38 12.52 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.16 1.907 . . . . 72.24 110.673 168.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -100.72 124.23 46.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.038 -0.528 . . . . 75.13 109.916 -173.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -137.02 120.82 17.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.0 0.429 . . . . 71.21 110.163 175.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.5 t -127.88 147.85 50.46 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.832 -0.622 . . . . 75.14 110.051 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -99.23 2.38 45.6 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.424 -0.353 . . . . 73.51 110.881 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -74.36 165.97 24.28 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.802 -0.814 . . . . 74.31 108.802 174.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.425 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 12.3 p-90 -70.5 155.67 40.4 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 109.889 -0.411 . . . . 72.24 109.889 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.4 p -133.83 -24.15 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 121.077 0.465 . . . . 74.35 111.205 174.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.1 tp -145.37 117.8 8.51 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-O 121.409 0.623 . . . . 75.4 111.308 -171.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.05 108.92 20.23 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.846 -1.07 . . . . 71.41 108.837 172.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.9 t -100.86 116.68 44.85 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 N-CA-C 106.863 -1.532 . . . . 74.14 106.863 -176.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -123.2 130.95 53.45 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.591 -0.843 . . . . 75.24 111.897 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.6 t -137.95 158.72 43.77 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.717 -1.128 . . . . 73.22 109.711 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.4 mt -111.74 123.54 50.46 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.03 -0.359 . . . . 72.12 110.03 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -104.67 95.37 5.85 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.39 -0.368 . . . . 75.13 110.392 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.05 -89.75 0.89 Allowed Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 110.792 -0.923 . . . . 52.25 110.792 -175.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -129.48 -4.36 4.8 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.038 0.535 . . . . 74.24 111.154 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 t -95.69 170.62 9.2 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 122.019 -0.426 . . . . 75.05 110.036 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.03 128.96 49.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.94 -0.393 . . . . 74.34 109.94 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 -122.56 119.92 32.27 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.27 -0.423 . . . . 75.32 110.228 174.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.48 132.4 54.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.868 0.842 . . . . 64.11 109.531 171.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 14.7 m-90 -109.83 121.71 45.86 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 107.321 -1.363 . . . . 72.25 107.321 175.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -112.45 113.99 26.45 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.399 0.619 . . . . 73.35 109.906 -176.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -104.97 134.71 47.63 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.872 -1.058 . . . . 74.45 110.349 -176.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 81.9 p -74.48 160.81 30.45 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.071 -0.968 . . . . 74.52 110.133 175.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -60.66 -34.34 74.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.01 -0.995 . . . . 73.51 110.532 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.4 -37.02 74.4 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 123.878 0.736 . . . . 74.41 111.907 -178.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.15 -32.44 66.88 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.168 0.508 . . . . 53.54 111.994 178.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.7 t -76.41 -24.73 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 CA-C-N 115.592 -0.731 . . . . 75.23 111.181 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.87 -43.61 83.08 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 122.899 0.479 . . . . 72.25 111.839 174.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -92.13 9.58 32.94 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.639 0.607 . . . . 72.35 112.639 -175.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.87 133.1 54.18 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.669 0.747 . . . . 73.03 112.058 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.44 ' HB3' ' HB3' ' A' ' 90' ' ' ARG . 28.2 tt0 -93.54 123.94 58.67 Favored Pre-proline 0 C--N 1.316 -0.879 0 CA-C-N 114.092 -1.413 . . . . 72.12 111.146 -168.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -70.07 117.36 5.06 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.839 1.693 . . . . 74.23 111.418 175.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -82.58 173.24 12.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.742 -0.663 . . . . 73.53 111.174 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.52 -8.58 56.5 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.616 -0.72 . . . . 71.54 111.833 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -76.44 -24.07 53.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.076 0.551 . . . . 63.14 111.075 175.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.64 -15.14 26.7 Favored Glycine 0 C--N 1.339 0.724 0 N-CA-C 114.874 0.709 . . . . 71.05 114.874 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -123.44 -19.93 5.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.699 0.749 . . . . 72.12 110.428 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.6 m -93.42 145.25 24.63 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.756 -0.656 . . . . 74.42 111.133 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.453 ' CD1' HD11 ' A' ' 10' ' ' LEU . 75.8 m95 -125.76 140.44 52.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.778 -1.101 . . . . 75.23 109.555 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.44 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 63.9 ttt180 -92.63 108.05 19.68 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 109.243 -0.651 . . . . 65.13 109.243 175.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.06 100.12 13.03 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 107.924 -1.139 . . . . 75.54 107.924 175.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.8 t -92.04 123.18 35.21 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.005 -0.998 . . . . 70.42 109.059 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 76.5 p -122.79 -171.42 2.28 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.312 -0.858 . . . . 75.52 109.938 -176.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.56 -1.79 89.17 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 121.223 -0.513 . . . . 74.51 112.222 171.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -98.24 -48.86 4.92 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.311 -0.626 . . . . 71.23 109.311 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.79 -115.69 0.55 Allowed Glycine 0 C--N 1.34 0.76 0 C-N-CA 120.857 -0.687 . . . . 70.2 113.194 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -146.62 133.29 19.92 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.159 0.584 . . . . 75.41 110.546 -174.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -130.35 117.23 19.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.374 -0.83 . . . . 75.43 108.86 -177.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.521 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 11.9 tt0 -84.19 100.42 11.16 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.935 0.398 . . . . 74.32 110.735 -175.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.2 mt -93.35 109.06 20.62 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.153 0.501 . . . . 71.21 110.395 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -109.39 119.52 39.71 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.809 -0.632 . . . . 74.2 109.489 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.459 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 36.4 m -92.07 121.64 33.82 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 114.43 -1.259 . . . . 72.31 111.157 -174.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.3 mt . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 114.98 -1.009 . . . . 75.3 109.649 -178.424 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 . . . . . 0 CA--C 1.517 -0.29 0 CA-C-O 121.642 0.734 . . . . 75.14 110.482 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.445 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 78.1 m-85 -86.88 -172.81 4.17 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 107.799 -1.186 . . . . 73.33 107.799 168.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.496 HD11 ' CD1' ' A' ' 89' ' ' TRP . 56.8 tp -63.14 -27.47 69.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.588 -0.278 . . . . 73.12 110.593 172.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.5 tp -54.61 -49.91 69.34 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.414 1.086 . . . . 71.11 112.514 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.18 -28.34 61.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.296 -0.411 . . . . 64.32 110.891 -178.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 31.2 mm-40 -74.66 -37.72 62.65 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 115.63 -0.714 . . . . 72.42 112.662 -177.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 pp -69.51 -26.69 64.66 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.616 0.599 . . . . 74.23 112.616 -176.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -75.38 -20.82 58.75 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.608 -0.724 . . . . 72.22 111.85 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 p -119.72 11.52 11.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.537 0.569 . . . . 73.23 112.537 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.99 141.21 47.7 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 122.208 -0.308 . . . . 73.4 111.45 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.37 -22.22 15.14 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.653 -0.703 . . . . 73.44 109.989 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.433 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 42.5 mmm -118.35 132.02 56.29 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 114.748 -1.114 . . . . 72.34 108.805 -176.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.6 mt -121.71 118.81 30.02 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.169 -0.678 . . . . 75.23 109.169 168.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 36.0 tt0 -98.76 140.03 33.57 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.009 -0.996 . . . . 74.54 108.678 179.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 22.6 mt -126.6 102.61 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 123.827 0.705 . . . . 74.33 109.696 173.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 63.01 28.38 16.21 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 114.306 -1.315 . . . . 74.04 113.043 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.11 -21.36 46.16 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 120.954 -0.641 . . . . 75.42 112.847 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 tt -87.81 118.93 27.66 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.78 -0.822 . . . . 63.04 108.78 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -77.5 123.26 26.35 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.539 -0.755 . . . . 65.31 111.729 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.72 118.0 21.89 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 108.934 -0.765 . . . . 73.1 108.934 171.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.7 p-90 -78.15 -17.87 56.31 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.038 -0.528 . . . . 72.04 111.671 -174.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -148.05 136.22 21.26 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.801 -0.636 . . . . 71.12 109.353 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -139.76 161.95 36.32 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.129 -0.941 . . . . 74.33 109.816 172.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -134.47 137.2 43.74 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.271 -0.64 . . . . 71.24 109.271 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.4 mt -105.46 139.09 40.61 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 108.106 -1.072 . . . . 75.35 108.106 178.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.546 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 51.1 t-20 -76.78 98.64 4.87 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.834 -0.802 . . . . 75.43 108.834 176.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -73.94 -37.57 64.53 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.16 0.913 . . . . 71.25 112.071 -168.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -62.55 -39.49 93.8 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.891 0.744 . . . . 74.44 111.267 177.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.0 tp -76.14 -29.4 57.78 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.949 -0.569 . . . . 75.4 111.634 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 61.0 mt -78.39 -21.27 49.58 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.047 0.388 . . . . 75.23 112.047 178.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.29 -38.78 78.48 Favored 'General case' 0 C--O 1.225 -0.193 0 O-C-N 123.651 0.594 . . . . 71.2 109.83 172.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -77.36 -27.49 52.63 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.947 0.779 . . . . 75.02 111.027 178.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.33 -39.55 85.83 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.54 0.525 . . . . 74.13 111.345 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.39 -29.41 47.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.343 -0.844 . . . . 64.13 110.756 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.18 -46.04 82.42 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.7 0.8 . . . . 72.51 110.001 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.73 -31.86 61.96 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 115.832 -0.622 . . . . 72.23 111.422 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.35 87.4 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.535 0.198 . . . . 71.33 111.535 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -71.38 -19.54 62.26 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.467 0.543 . . . . 73.42 112.467 174.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.32 -3.12 58.61 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 119.249 -0.405 . . . . 74.31 111.909 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.7 t70 68.17 23.47 7.91 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 125.405 1.482 . . . . 72.31 111.47 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -108.51 135.62 20.0 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.56 -0.745 . . . . 73.22 109.067 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -67.06 125.8 14.17 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.466 2.111 . . . . 74.42 112.32 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -92.05 120.63 32.86 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.696 0.76 . . . . 75.35 110.839 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.34 131.98 54.51 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.45 -1.25 . . . . 75.54 109.379 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.8 t -151.68 139.48 19.87 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.349 -0.982 . . . . 73.51 108.349 175.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -113.11 14.62 19.55 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.15 0.5 . . . . 73.22 110.233 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.4 177.64 8.65 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.592 -0.731 . . . . 72.22 109.37 173.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.4 p-90 -73.44 149.24 42.53 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 109.915 -0.402 . . . . 72.44 109.915 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.36 -20.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.023 0.439 . . . . 71.31 110.707 172.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.02 132.13 41.5 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.562 -0.29 . . . . 73.03 110.659 -176.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.81 99.62 5.61 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.798 -0.816 . . . . 53.2 108.798 170.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.24 108.62 24.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.497 -0.774 . . . . 72.44 109.999 -177.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -100.2 132.51 45.52 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 122.342 1.067 . . . . 73.2 109.77 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.2 m -131.78 122.03 25.14 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 114.235 -1.348 . . . . 75.13 109.852 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 66' ' ' THR . 7.8 mp -108.35 103.52 12.69 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.211 -1.033 . . . . 75.43 108.211 173.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -102.85 98.31 8.32 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.998 -1.112 . . . . 74.43 107.998 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.23 -102.18 2.39 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.383 -1.087 . . . . 73.11 110.383 -168.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -139.54 45.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 75.14 110.686 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 10.7 t -107.19 126.47 52.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.429 0.633 . . . . 72.34 110.035 172.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -91.96 98.32 11.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.65 -0.705 . . . . 75.42 109.667 174.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -130.82 119.52 22.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.978 -0.555 . . . . 74.12 110.395 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -122.72 125.66 45.97 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.75 -0.659 . . . . 71.34 109.739 175.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 13.1 m-90 -95.62 125.06 39.95 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.48 -0.933 . . . . 74.43 108.48 174.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -110.15 112.0 23.71 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 109.039 -0.726 . . . . 74.03 109.039 176.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -101.5 140.64 35.51 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.489 -0.778 . . . . 75.25 109.052 -173.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.8 p -81.82 163.01 22.63 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.002 0.814 . . . . 73.12 110.917 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.402 ' O ' ' HG2' ' A' ' 78' ' ' MET . 72.0 t80 -63.93 -40.68 97.02 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.095 -0.957 . . . . 73.22 111.362 -178.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.72 -27.49 63.04 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.492 0.553 . . . . 72.43 112.492 -178.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.97 -27.81 63.02 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 123.724 0.64 . . . . 71.44 111.438 174.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 24.7 t -79.94 -27.51 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 123.918 0.887 . . . . 75.14 111.324 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 74' ' ' TYR . 95.2 mmm -79.1 -30.5 43.84 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 122.372 -0.205 . . . . 65.45 111.484 177.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -90.85 3.78 53.57 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 119.425 -0.321 . . . . 70.11 111.827 175.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.71 117.96 6.5 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 123.585 0.553 . . . . 74.34 110.758 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -85.68 129.09 56.15 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 114.524 -1.216 . . . . 63.21 110.697 -169.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -67.81 117.95 5.26 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 121.386 1.391 . . . . 75.04 111.969 176.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -85.88 179.19 7.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.446 -0.797 . . . . 74.03 109.597 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.94 -7.25 51.63 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.233 1.197 . . . . 64.31 114.233 -168.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -83.35 -22.01 32.97 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.484 0.183 . . . . 75.21 110.846 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.04 -15.52 21.24 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 116.213 -0.449 . . . . 74.24 113.578 -175.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -108.62 -26.74 10.22 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 109.408 -0.59 . . . . 72.12 109.408 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.1 m -84.4 140.73 31.34 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 114.704 -1.135 . . . . 74.31 110.968 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.496 ' CD1' HD11 ' A' ' 10' ' ' LEU . 66.0 m95 -126.39 142.3 51.58 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.014 -0.994 . . . . 73.12 108.766 177.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -88.76 111.45 22.02 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.742 -0.836 . . . . 74.53 108.742 174.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.26 101.29 12.91 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.332 -0.849 . . . . 74.45 108.754 176.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 p -83.57 125.72 32.08 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.196 -0.911 . . . . 62.13 110.321 178.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.8 p -130.55 -178.22 4.68 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.371 -0.832 . . . . 72.01 110.142 -176.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.39 -15.19 81.72 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.754 -0.538 . . . . 72.3 111.754 170.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -79.44 -32.64 42.8 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.324 0.65 . . . . 72.2 110.467 172.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 153.93 -110.7 0.46 Allowed Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.261 -0.495 . . . . 44.5 112.823 177.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -149.26 134.21 18.01 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.677 -0.861 . . . . 72.52 108.677 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -127.7 137.04 52.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.797 -0.446 . . . . 74.54 109.797 -176.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.504 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 18.8 tt0 -87.83 100.54 12.94 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.487 -0.56 . . . . 73.31 109.487 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 2.5 mt -95.05 108.99 21.09 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.809 -0.441 . . . . 73.25 109.809 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -115.92 125.95 53.26 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-O 121.492 0.663 . . . . 73.1 110.466 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 59.7 m -92.69 120.95 33.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.868 -1.06 . . . . 65.34 111.138 -175.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.433 ' HB2' ' HB2' ' A' ' 19' ' ' MET . 3.3 mt . . . . . 0 N--CA 1.464 0.269 0 CA-C-N 115.724 -0.671 . . . . 75.22 109.514 -179.13 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.43 ' O ' ' HH2' ' A' ' 89' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.443 -0.79 0 N-CA-C 106.447 -1.686 . . . . 64.34 106.447 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -99.93 167.79 10.28 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 114.967 -1.015 . . . . 73.32 108.55 177.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 89' ' ' TRP . 47.6 tp -65.97 -30.5 71.08 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 117.825 0.284 . . . . 73.13 110.305 174.205 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.5 tp -65.7 -31.76 72.94 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.663 -0.699 . . . . 73.02 111.5 175.573 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -82.31 -30.4 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.925 0.393 . . . . 75.2 110.205 177.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -71.47 -37.25 71.36 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.48 -0.782 . . . . 65.31 113.02 -178.345 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -70.98 -21.11 62.35 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 120.941 0.4 . . . . 74.43 111.945 -178.444 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -67.48 -21.82 65.5 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.546 -0.752 . . . . 75.31 112.526 173.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -127.34 20.85 6.73 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.85 0.46 . . . . 74.02 111.478 178.177 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.31 140.94 38.46 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 120.639 -0.424 . . . . 72.21 110.635 179.211 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -106.48 -45.23 4.3 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.461 -0.791 . . . . 73.41 109.549 177.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 28.2 ttp -111.79 130.08 55.92 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.404 -0.816 . . . . 74.51 109.526 175.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.1 tp -121.53 126.4 49.1 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.721 -0.844 . . . . 73.43 108.721 176.576 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.659 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 30.1 tt0 -98.29 152.45 19.41 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.427 -0.806 . . . . 62.42 109.797 -177.431 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.488 ' CG1' ' HB3' ' A' ' 98' ' ' TYR . 15.5 tt -134.35 107.64 9.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 CA-C-O 121.699 0.762 . . . . 74.14 110.969 175.252 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 54.96 42.9 30.68 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.537 1.535 . . . . 73.43 111.984 175.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.0 -17.98 58.29 Favored Glycine 0 C--N 1.343 0.945 0 O-C-N 121.816 -0.553 . . . . 75.02 113.771 178.604 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tt -102.34 115.15 29.97 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.684 -0.858 . . . . 75.55 108.684 -177.584 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 42.8 p-80 -75.38 131.18 40.04 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.444 -0.502 . . . . 70.52 110.205 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.02 146.01 35.6 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.295 -0.632 . . . . 75.35 109.295 173.116 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 -79.88 -22.77 42.44 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 109.533 -0.543 . . . . 75.34 109.533 179.365 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -156.37 144.78 19.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.839 -0.618 . . . . 73.13 110.165 -176.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -129.7 151.04 50.73 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.72 -0.474 . . . . 72.43 109.72 165.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -122.33 144.49 48.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.943 -0.571 . . . . 74.24 110.128 -176.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.7 mt -113.69 140.16 48.46 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.464 -0.789 . . . . 74.52 110.609 -177.784 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.416 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 49.1 t-20 -82.29 91.4 6.77 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 108.546 -0.909 . . . . 72.23 108.546 171.586 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.42 -23.11 56.95 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.799 -0.637 . . . . 74.43 112.446 -172.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -68.39 -39.97 81.5 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 122.979 0.512 . . . . 75.41 110.9 172.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.3 tp -79.15 -25.39 42.87 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.036 -0.529 . . . . 75.23 111.009 178.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 79.2 mt -81.28 -18.66 45.1 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.518 -0.31 . . . . 75.21 111.575 177.038 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.05 -42.0 76.87 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.625 -0.88 . . . . 75.55 108.625 170.404 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -75.89 -22.28 56.29 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.282 -0.872 . . . . 72.5 111.711 178.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.6 -40.98 76.32 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.37 -0.377 . . . . 70.4 111.06 174.108 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -74.2 -31.9 62.84 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.882 -0.599 . . . . 71.23 110.076 177.148 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.71 -48.18 81.93 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.393 1.077 . . . . 71.44 110.973 178.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.58 79.81 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 123.479 0.487 . . . . 75.53 111.011 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.92 -25.62 63.75 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 120.922 0.391 . . . . 54.22 111.857 178.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -77.57 -18.49 56.86 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.028 0.531 . . . . 71.1 111.44 171.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.85 14.11 31.48 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 122.472 0.309 . . . . 74.42 111.586 176.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.7 t70 76.54 -1.46 2.88 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.295 1.438 . . . . 74.4 112.119 176.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -93.66 144.59 28.45 Favored Pre-proline 0 C--N 1.315 -0.907 0 O-C-N 121.349 -0.844 . . . . 75.34 111.416 -173.245 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.33 126.56 9.84 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 121.786 1.658 . . . . 74.12 110.42 166.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -78.81 132.54 36.9 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.475 -0.49 . . . . 74.13 110.155 178.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -136.67 119.85 16.67 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.101 -0.954 . . . . 75.0 109.418 177.499 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.2 t -136.27 149.46 48.48 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.587 -0.733 . . . . 71.12 109.066 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -108.69 12.3 25.89 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.967 0.413 . . . . 72.25 110.896 176.542 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.82 163.23 23.6 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 108.571 -0.9 . . . . 63.4 108.571 171.228 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 5.4 p-90 -65.58 151.39 46.56 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.292 0.37 . . . . 64.15 110.497 -178.382 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 p -137.7 -22.6 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 120.444 -0.502 . . . . 71.41 111.428 173.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -137.36 122.13 18.71 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.822 -0.436 . . . . 74.43 109.822 -172.365 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.81 110.43 14.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.548 -0.751 . . . . 72.14 110.162 177.232 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -100.63 108.14 22.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.121 0.486 . . . . 74.21 110.857 -179.353 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.11 131.17 47.18 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.412 0.625 . . . . 71.31 109.761 177.319 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 m -118.99 159.42 23.88 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.566 -1.197 . . . . 74.23 109.564 178.058 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.0 mt -122.99 105.09 9.67 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.418 0.628 . . . . 74.42 110.045 172.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -102.55 94.68 5.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.09 -0.959 . . . . 72.2 109.025 177.104 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.14 -124.03 6.27 Favored Glycine 0 N--CA 1.44 -1.04 0 N-CA-C 108.963 -1.655 . . . . 71.21 108.963 -164.047 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -118.73 76.0 1.07 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 122.498 1.142 . . . . 74.51 108.115 165.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.7 m -142.62 108.79 5.23 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 113.284 -1.78 . . . . 74.55 109.116 -172.497 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -77.82 99.42 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.669 -0.696 . . . . 74.41 109.525 179.169 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -116.7 113.31 22.45 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.705 -0.68 . . . . 65.02 109.591 -172.599 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -125.48 134.75 51.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.285 0.564 . . . . 64.42 111.724 -171.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 17.9 m-90 -111.18 124.84 53.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.026 -0.988 . . . . 74.33 109.092 171.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -108.89 128.34 54.83 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.422 0.629 . . . . 72.53 110.775 178.415 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -117.55 139.75 50.54 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.638 -1.165 . . . . 62.11 109.628 -178.247 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.5 m -72.44 161.44 30.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.164 -0.925 . . . . 73.4 110.514 178.199 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -59.97 -39.04 84.26 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.451 0.7 . . . . 61.21 110.503 176.451 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -42.79 99.64 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.781 0.676 . . . . 72.45 111.728 175.181 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.26 -36.57 81.86 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 123.774 0.671 . . . . 73.15 111.856 -179.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.1 -27.41 17.97 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 123.221 0.608 . . . . 73.01 112.086 178.212 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.29 -36.85 63.8 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.261 -0.274 . . . . 74.44 111.508 174.201 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -89.09 3.36 52.05 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 112.581 0.586 . . . . 71.11 112.581 -175.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.08 125.61 23.45 Favored 'General case' 0 CA--C 1.519 -0.221 0 O-C-N 123.931 0.769 . . . . 75.12 111.317 179.418 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -79.84 123.81 83.61 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.148 -0.933 . . . . 74.52 111.42 -171.001 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -67.92 122.63 9.76 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.07 1.847 . . . . 74.34 111.779 175.298 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -88.75 178.88 6.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.901 -0.591 . . . . 71.22 109.774 177.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.73 -16.05 61.19 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 111.932 0.345 . . . . 72.34 111.932 -179.161 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -73.65 -23.3 59.84 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.113 0.565 . . . . 63.22 111.428 176.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.29 -17.84 9.36 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 114.518 0.567 . . . . 75.22 114.518 174.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 3.8 mp0 -114.76 -10.12 12.45 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 117.098 0.449 . . . . 71.32 109.873 173.608 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.7 m -92.05 135.99 33.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.249 0.547 . . . . 51.22 110.401 178.465 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.555 ' CD1' HD11 ' A' ' 10' ' ' LEU . 70.6 m95 -128.27 125.21 38.41 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 115.284 -0.871 . . . . 73.01 110.39 -178.283 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -81.46 108.25 14.9 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.019 -0.734 . . . . 73.51 109.019 173.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.21 99.17 12.24 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 107.297 -1.372 . . . . 65.32 107.297 176.539 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.71 128.87 40.13 Favored 'General case' 0 N--CA 1.432 -1.332 0 CA-C-N 115.529 -0.76 . . . . 74.22 109.512 177.446 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.8 p -124.68 -172.91 2.67 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.605 -1.18 . . . . 74.24 109.615 -175.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -76.05 -16.27 80.8 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 116.104 -0.498 . . . . 71.53 111.882 170.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -88.28 -48.81 7.39 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.082 0.553 . . . . 72.24 110.835 179.155 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -178.42 -128.39 1.17 Allowed Glycine 0 C--N 1.341 0.85 0 C-N-CA 120.669 -0.777 . . . . 72.42 114.17 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -145.3 122.22 11.32 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.777 0.831 . . . . 74.41 110.196 -173.532 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.488 ' HB3' ' CG1' ' A' ' 22' ' ' ILE . 76.1 m-85 -131.33 115.01 15.7 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.773 -0.649 . . . . 74.05 109.714 -173.238 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -87.57 103.89 15.98 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 119.846 -0.742 . . . . 60.11 111.158 -173.157 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.659 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 78.2 mt -89.71 109.91 20.85 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 109.339 -0.615 . . . . 73.13 109.339 -177.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 30.3 ttp180 -110.24 116.2 31.06 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 121.357 0.599 . . . . 74.14 110.341 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.6 p -82.49 124.74 30.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.731 -1.122 . . . . 73.44 111.097 -176.156 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.7 mt . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 114.631 -1.168 . . . . 71.14 109.058 -176.096 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.3 mtm105 . . . . . 0 CA--C 1.489 -1.367 0 CA-C-O 122.578 1.18 . . . . 75.4 111.878 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -93.4 169.86 10.05 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-N 113.8 -1.545 . . . . 73.12 107.096 165.831 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 89' ' ' TRP . 22.1 tp -65.2 -24.59 67.4 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 110.174 -0.306 . . . . 70.23 110.174 175.222 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.8 tp -66.05 -29.97 70.41 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.618 0.767 . . . . 73.02 112.495 176.127 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -80.62 -35.75 33.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.08 0.467 . . . . 63.33 110.329 176.542 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.52 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 24.6 mm-40 -74.42 -29.4 61.49 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.533 0.938 . . . . 71.31 113.533 -175.426 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -74.94 -21.63 59.07 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.395 0.517 . . . . 65.41 112.395 -179.032 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -70.84 -31.26 67.92 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.528 0.518 . . . . 71.11 111.438 177.436 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -104.15 2.68 32.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.625 0.602 . . . . 73.44 112.625 -178.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.49 130.45 35.05 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.765 0.317 . . . . 61.33 111.397 -178.449 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -92.15 -38.92 11.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.915 0.865 . . . . 74.42 109.426 175.2 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.3 ttp -128.64 140.56 51.7 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.216 -1.356 . . . . 72.54 109.427 178.541 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.0 mt -116.08 129.85 56.54 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.469 0.652 . . . . 73.14 110.172 173.644 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -104.42 146.03 29.42 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.301 -1.318 . . . . 72.33 108.746 176.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.537 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.3 tt -135.87 114.3 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.12 0 CA-C-O 121.724 0.773 . . . . 72.24 110.235 172.13 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 t70 63.22 24.9 14.56 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 114.286 -1.324 . . . . 72.31 111.841 176.211 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.64 -17.96 55.8 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 121.231 -0.509 . . . . 71.11 113.376 -178.685 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 tp -93.53 126.53 38.74 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.81 -0.441 . . . . 75.41 109.81 179.121 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -87.38 123.84 32.75 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.064 -0.516 . . . . 75.52 110.659 -174.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.31 131.54 35.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.877 -0.601 . . . . 73.13 110.293 178.555 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.7 p-90 -78.1 -28.39 48.66 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.108 0.48 . . . . 71.43 110.718 -176.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -134.18 134.82 42.54 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 121.785 0.802 . . . . 75.51 109.031 -179.232 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -133.12 152.59 51.94 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 113.906 -1.497 . . . . 75.31 107.808 169.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -129.45 133.13 47.15 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 109.087 -0.709 . . . . 74.31 109.087 -178.184 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.6 mt -101.63 136.75 40.95 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 107.76 -1.2 . . . . 65.31 107.76 176.089 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.557 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.5 t-20 -78.27 90.99 4.36 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 108.519 -0.919 . . . . 74.25 108.519 177.063 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -66.57 -36.41 82.59 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.84 0.856 . . . . 65.44 112.064 -172.217 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 23.7 t-20 -55.34 -50.56 69.34 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 124.391 1.057 . . . . 71.11 111.386 173.383 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.6 tp -77.68 -24.84 49.22 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 115.854 -0.612 . . . . 75.21 111.7 -176.252 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 21.0 mt -83.32 -22.57 32.86 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.196 0.443 . . . . 71.12 112.196 179.464 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.48 -38.82 84.98 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.559 -0.904 . . . . 75.43 108.559 171.052 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 35' ' ' ASN . 85.4 mt-30 -74.59 -30.2 61.6 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 114.981 -1.009 . . . . 75.02 111.99 177.852 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.93 -41.92 67.27 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.444 0.465 . . . . 64.12 111.855 -178.702 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -71.4 -36.88 71.51 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.747 -0.66 . . . . 74.15 110.487 176.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.65 -36.89 85.31 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.259 1.024 . . . . 75.11 111.692 178.066 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.27 -44.25 53.64 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.912 -0.586 . . . . 74.41 111.018 177.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.44 -36.8 83.55 Favored 'General case' 0 C--O 1.224 -0.238 0 O-C-N 124.042 0.839 . . . . 74.0 112.244 -179.186 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.48 -14.86 61.31 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.519 0.563 . . . . 73.33 112.519 177.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.95 11.58 37.2 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.263 0.225 . . . . 73.12 111.412 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.0 t70 75.53 -4.08 2.45 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 126.064 1.746 . . . . 64.24 112.576 177.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -78.98 124.07 84.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 121.692 -0.63 . . . . 74.1 110.203 -176.254 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -70.51 122.78 9.24 Favored 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 121.875 1.716 . . . . 74.14 110.996 174.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -89.62 120.05 30.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.359 0.6 . . . . 72.32 110.963 -170.297 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.56 121.93 39.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.371 -0.831 . . . . 74.34 110.106 177.742 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 p -145.07 134.15 22.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.545 0.688 . . . . 53.45 110.567 174.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -94.04 18.14 11.18 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.039 -0.982 . . . . 65.3 111.86 177.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -84.73 172.0 11.87 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 108.521 -0.918 . . . . 74.24 108.521 172.535 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.1 p-90 -77.0 157.07 31.42 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 120.878 0.37 . . . . 75.22 110.355 -179.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.6 p -133.42 -28.21 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.084 0.469 . . . . 61.41 111.096 175.495 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.98 126.6 36.45 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.499 -0.556 . . . . 74.24 109.499 -172.723 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.62 102.41 6.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.253 -0.43 . . . . 75.43 109.944 173.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.82 116.1 44.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.81 -0.811 . . . . 73.51 108.81 179.697 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -113.76 135.09 54.33 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.83 0.824 . . . . 71.14 110.146 176.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.8 t -133.73 129.84 37.27 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.014 -0.993 . . . . 74.53 110.176 -175.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.453 ' HA ' ' O ' ' A' ' 66' ' ' THR . 65.2 mt -87.46 107.89 18.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.095 0.474 . . . . 71.25 110.598 179.369 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -115.45 98.05 6.51 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.471 -0.786 . . . . 74.44 109.199 -176.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.59 -90.49 1.44 Allowed Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 114.984 -1.007 . . . . 74.24 111.366 -173.006 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -141.87 30.99 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.698 0.399 . . . . 74.13 111.369 -179.016 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 7.4 t -140.03 146.24 38.77 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.317 -0.553 . . . . 74.43 112.074 -178.531 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.9 mtm105 -85.33 103.82 14.6 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 108.071 -1.085 . . . . 75.54 108.071 167.171 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -89.84 115.34 27.09 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 106.656 -1.609 . . . . 75.14 106.656 172.094 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -124.21 127.86 48.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.317 0.58 . . . . 71.14 111.461 -167.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 8.8 m-90 -114.1 124.09 51.25 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.504 -0.925 . . . . 75.52 108.504 177.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -119.0 129.7 55.29 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.276 0.56 . . . . 64.14 109.968 178.593 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -115.32 145.15 42.77 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.883 -1.053 . . . . 74.01 110.575 -175.359 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.6 m -76.93 160.82 28.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.229 0.955 . . . . 73.13 110.228 175.476 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -63.43 -43.89 96.13 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.758 -0.656 . . . . 75.5 112.054 -176.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -76.58 -20.02 57.26 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.409 0.443 . . . . 73.43 112.066 -177.742 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.17 -40.36 86.61 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.026 0.441 . . . . 72.1 111.036 168.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.2 t -69.31 -29.22 41.54 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 C-N-CA 123.644 0.778 . . . . 75.21 111.752 172.674 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 19.2 mmt -67.12 -40.42 86.83 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.906 0.336 . . . . 73.3 111.906 175.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -91.43 2.23 56.56 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.593 0.59 . . . . 73.4 112.593 -178.839 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 121.28 13.3 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.321 0.581 . . . . 63.35 111.049 179.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -85.19 129.39 55.99 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 114.634 -1.166 . . . . 75.11 111.783 -168.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -66.38 125.75 14.47 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 121.931 1.754 . . . . 72.22 112.193 174.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -85.38 178.82 7.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.349 -0.841 . . . . 73.3 110.82 -179.306 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.83 -20.44 62.56 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.72 -0.673 . . . . 75.32 111.642 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -72.42 -23.86 61.15 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.727 -0.669 . . . . 75.11 111.193 173.491 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.06 -16.19 17.56 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 114.894 0.717 . . . . 55.14 114.894 175.449 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 27.6 mt-10 -118.27 -13.11 9.87 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 117.342 0.571 . . . . 71.01 110.297 177.804 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.1 m -87.86 142.64 27.65 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.755 -0.657 . . . . 70.12 109.776 173.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.561 ' CD1' HD11 ' A' ' 10' ' ' LEU . 72.6 m95 -130.02 132.71 46.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.759 -0.655 . . . . 74.01 109.283 -178.174 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -86.38 105.57 16.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.434 -0.58 . . . . 74.34 109.434 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.44 100.75 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.158 -0.928 . . . . 71.15 108.778 174.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 t -90.26 121.33 32.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.03 0.919 . . . . 71.31 110.321 -179.714 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 73.1 p -122.11 -171.85 2.33 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.663 -1.153 . . . . 72.52 109.448 -178.087 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.82 -9.51 86.86 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 121.34 -0.457 . . . . 44.13 112.67 173.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -89.58 -50.31 6.16 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.697 -0.482 . . . . 72.31 109.697 176.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 173.03 -122.05 0.9 Allowed Glycine 0 C--N 1.335 0.523 0 CA-C-N 116.015 -0.539 . . . . 65.05 112.037 -177.272 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.2 123.0 15.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.354 0.597 . . . . 71.52 110.761 -175.164 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -111.98 122.28 47.32 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.816 -1.083 . . . . 73.54 108.834 178.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.537 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 15.6 tt0 -88.73 101.71 14.27 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.588 -0.278 . . . . 70.13 110.745 -176.339 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.5 mt -91.49 110.42 21.73 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 109.409 -0.589 . . . . 73.43 109.409 178.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 24.2 ttp180 -112.77 127.72 56.23 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.326 0.584 . . . . 75.53 110.495 -179.705 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.52 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 67.3 m -83.72 118.26 23.78 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.668 -1.151 . . . . 64.33 110.684 179.111 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 114.316 -1.311 . . . . 74.05 110.158 -175.248 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.057 0 N-CA-C 111.894 -0.482 . . . . 72.13 111.894 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.8 m -139.47 88.64 2.27 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.585 -0.524 . . . . 74.23 109.585 174.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -86.44 -36.28 19.19 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 116.583 -0.28 . . . . 75.51 110.685 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 49.0 mtt -79.62 89.78 5.14 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-O 122.588 1.185 . . . . 71.35 110.826 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m -127.38 -37.51 2.02 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 112.304 -2.225 . . . . 75.21 108.468 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 t -98.32 -21.86 16.41 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 114.964 -1.016 . . . . 75.04 109.698 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -99.38 105.54 17.52 Favored 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 107.303 -1.369 . . . . 72.44 107.303 168.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -111.73 89.45 3.06 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 108.585 -0.894 . . . . 72.44 108.585 -172.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -92.96 -176.06 4.08 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 113.646 -1.615 . . . . 72.5 108.744 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.5 HD11 ' CD1' ' A' ' 89' ' ' TRP . 35.9 tp -63.88 -27.67 69.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.558 -0.292 . . . . 74.44 110.241 172.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.1 tp -61.23 -44.33 97.44 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 124.158 0.911 . . . . 71.51 112.119 174.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.95 -33.66 72.22 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.447 0.699 . . . . 74.33 111.526 177.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.97 -41.41 17.34 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.664 0.987 . . . . 73.32 113.664 -172.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.26 -21.53 63.89 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.177 0.806 . . . . 71.44 113.177 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.36 -42.0 96.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.133 0.573 . . . . 72.42 111.898 175.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 105' ' ' ALA . 17.7 p -96.86 -10.53 26.33 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.334 0.494 . . . . 74.44 112.334 -176.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.15 154.77 37.55 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 113.072 0.767 . . . . 64.14 113.072 -173.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -110.85 -48.3 3.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.983 -1.008 . . . . 63.43 109.643 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.2 ttp -110.91 151.69 27.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.109 -0.951 . . . . 65.23 109.323 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.6 tp -142.25 123.01 14.3 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 109.815 -0.439 . . . . 75.3 109.815 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.446 ' OE1' ' HD3' ' A' ' 101' ' ' ARG . 43.1 mt-10 -99.76 153.64 18.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.327 -0.249 . . . . 73.13 110.327 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.479 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.0 tt -137.09 108.12 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-O 121.975 0.893 . . . . 73.13 109.933 176.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.4 t0 62.91 24.95 14.83 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 125.055 1.342 . . . . 65.15 111.047 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.8 -11.35 60.88 Favored Glycine 0 CA--C 1.532 1.136 0 O-C-N 121.495 -0.753 . . . . 72.11 112.82 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 tt -93.66 112.42 24.29 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.785 -0.821 . . . . 74.55 108.785 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -75.43 134.12 40.97 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.917 0.389 . . . . 73.23 111.753 -177.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.78 141.55 30.64 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.913 -0.585 . . . . 72.5 110.184 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -90.41 -15.79 30.29 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.654 -0.703 . . . . 74.4 110.458 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -143.07 142.57 31.58 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.538 -0.755 . . . . 74.21 110.26 -175.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -153.93 146.78 24.37 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.47 -0.567 . . . . 74.21 109.47 166.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -126.73 151.63 47.91 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.961 -0.563 . . . . 75.25 110.252 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -122.51 146.72 47.14 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.385 -0.825 . . . . 65.43 111.084 -172.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.638 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.2 t-20 -84.66 85.78 7.39 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.675 -0.861 . . . . 74.43 108.675 173.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -74.46 -26.9 60.33 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.703 0.801 . . . . 74.41 111.456 -170.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -60.39 -43.2 96.87 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.933 1.293 . . . . 61.14 110.999 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.2 tp -77.62 -24.16 49.63 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.737 -0.665 . . . . 73.21 110.899 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 27.8 mt -83.43 -19.63 35.59 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 112.309 0.485 . . . . 75.52 112.309 -176.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.8 -47.27 78.68 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 123.768 0.668 . . . . 75.34 109.334 166.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -71.97 -30.41 65.25 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 124.065 0.853 . . . . 74.21 112.065 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.32 -49.06 68.27 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.449 -0.796 . . . . 63.24 111.144 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -72.2 -31.78 66.18 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 123.608 0.568 . . . . 75.33 111.077 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.19 -41.82 93.77 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.993 0.917 . . . . 74.32 111.389 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.23 -40.11 74.68 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.494 -0.775 . . . . 73.41 110.803 175.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.83 81.97 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 123.229 0.612 . . . . 72.43 111.973 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -69.74 -19.87 63.52 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.784 0.834 . . . . 70.15 111.818 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.1 5.28 52.21 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.167 -0.469 . . . . 72.01 111.303 173.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t70 67.31 25.52 8.75 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.116 1.766 . . . . 74.21 111.626 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -105.77 124.35 36.4 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.505 -0.554 . . . . 72.42 109.505 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -60.83 124.66 15.42 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.486 2.124 . . . . 64.13 112.397 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -99.45 133.12 44.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.746 -0.661 . . . . 73.21 109.467 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -144.53 122.89 12.32 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.749 -0.659 . . . . 41.15 109.819 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.0 t -140.11 139.37 35.81 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.05 -0.722 . . . . 74.23 109.05 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -92.77 15.4 14.68 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.417 0.525 . . . . 64.25 112.417 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -78.49 162.91 26.01 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.334 -0.988 . . . . 73.42 108.334 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 6.5 p-90 -69.01 154.41 42.11 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.092 0.472 . . . . 75.31 110.446 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.6 p -133.14 -26.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 120.951 0.405 . . . . 73.14 110.794 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.2 tp -144.71 117.81 8.89 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-O 121.237 0.541 . . . . 75.2 111.415 -168.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.26 112.68 24.79 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.398 -0.819 . . . . 65.52 108.977 171.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.9 t -100.25 116.42 43.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 114.874 -1.057 . . . . 73.32 109.17 -173.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -118.76 121.42 40.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.602 0.715 . . . . 74.13 112.024 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.1 t -117.0 152.28 34.96 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.223 -0.899 . . . . 63.34 108.798 168.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.3 mt -109.18 118.78 37.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.971 -0.751 . . . . 71.35 108.971 173.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -104.91 117.95 35.33 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.517 -1.29 . . . . 75.34 107.517 170.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.04 -110.46 3.33 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 109.311 -1.516 . . . . 74.34 109.311 -163.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -134.36 19.95 3.67 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.263 0.468 . . . . 74.21 112.263 171.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 t -89.48 145.08 25.54 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 109.768 -0.456 . . . . 74.52 109.768 176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -86.19 125.81 33.81 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.672 -0.492 . . . . 71.24 109.672 176.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 -119.69 114.63 22.48 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.801 -0.814 . . . . 72.34 108.801 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -126.07 122.35 35.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.087 0.47 . . . . 63.42 111.248 -168.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 22.2 m-90 -111.81 123.99 51.42 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.593 -0.891 . . . . 74.5 108.593 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -109.32 128.93 55.48 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 120.194 -0.602 . . . . 73.42 110.468 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -115.35 138.05 51.39 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 114.732 -1.122 . . . . 74.4 110.173 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.8 p -76.31 159.72 30.3 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 123.712 0.632 . . . . 73.4 110.027 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -62.85 -31.91 73.03 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.808 -0.633 . . . . 74.24 110.321 175.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.72 -46.6 84.67 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.254 -0.885 . . . . 75.43 110.796 178.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.17 93.86 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 123.904 0.753 . . . . 60.35 111.671 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.11 -29.08 45.64 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.173 0 C-N-CA 123.918 0.887 . . . . 73.31 112.797 176.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.1 mmt -77.28 -30.12 54.16 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 122.186 -0.321 . . . . 74.24 111.667 172.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -90.05 2.52 55.11 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.306 0.643 . . . . 75.31 111.762 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.85 123.67 26.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.585 -0.734 . . . . 74.22 110.89 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -86.08 130.36 50.44 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 114.825 -1.079 . . . . 73.44 111.969 -171.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -67.54 119.99 7.02 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.038 1.825 . . . . 73.12 111.851 173.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -90.28 172.98 8.39 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.837 -0.62 . . . . 74.34 110.383 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.37 -5.78 50.89 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.131 0.789 . . . . 72.5 113.131 -174.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -75.1 -23.62 57.98 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 122.713 0.405 . . . . 74.52 110.596 172.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.86 -16.05 44.19 Favored Glycine 0 C--N 1.34 0.752 0 CA-C-N 115.902 -0.59 . . . . 73.51 114.297 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 6.3 mp0 -118.38 -13.96 9.77 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 117.351 0.575 . . . . 73.03 110.67 176.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.3 m -91.93 141.69 28.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.212 0.529 . . . . 73.54 111.62 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.5 ' CD1' HD11 ' A' ' 10' ' ' LEU . 70.0 m95 -128.13 138.66 52.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.362 -0.835 . . . . 75.23 110.042 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -94.26 102.57 14.58 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.846 0.355 . . . . 74.1 110.342 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 4.5 mm? -91.85 98.38 11.56 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 115.715 -0.675 . . . . 74.42 109.272 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.0 p -97.03 98.11 9.79 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-O 121.873 0.844 . . . . 73.03 110.303 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.9 p -106.92 176.2 5.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.601 -1.181 . . . . 74.04 109.086 -175.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -79.36 -6.9 88.8 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 121.326 -0.464 . . . . 50.43 112.069 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -93.3 -35.48 13.05 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 122.354 0.262 . . . . 75.31 110.61 173.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.34 179.7 39.85 Favored Glycine 0 N--CA 1.444 -0.81 0 O-C-N 123.328 0.392 . . . . 73.43 112.78 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 91' ' ' LEU . . . -96.37 131.39 42.97 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 110.047 -0.353 . . . . 52.35 110.047 177.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.401 ' O ' ' HB2' ' A' ' 91' ' ' LEU . 93.9 m-85 -131.69 120.03 22.19 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.631 0.772 . . . . 75.2 110.021 -175.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.479 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 38.7 tt0 -87.05 101.6 13.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.616 -176.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.1 mt -93.21 111.9 23.68 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 120.868 0.366 . . . . 72.53 110.806 -177.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.446 ' HD3' ' OE1' ' A' ' 21' ' ' GLU . 32.4 ttt180 -116.29 108.46 16.12 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 115.891 -0.595 . . . . 74.13 110.134 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 12.8 m -83.69 124.43 30.84 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.296 0.569 . . . . 72.35 110.593 -176.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.1 mt -120.33 145.46 47.09 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.986 -1.006 . . . . 73.44 110.835 -176.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 86.5 169.01 45.49 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.659 -0.781 . . . . 60.25 113.63 173.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 16' ' ' THR . . . -146.78 77.4 1.46 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.52 0.676 . . . . 63.32 110.725 -175.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.8 t -122.75 -12.71 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 115.744 -0.662 . . . . 71.22 110.152 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.6 m 61.69 97.84 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.501 1.521 . . . . 72.12 112.557 -174.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.82 -14.94 58.32 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.964 -0.562 . . . . 71.45 112.018 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.7 m -67.9 143.05 55.87 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 122.841 0.456 . . . . 52.34 111.247 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 115.08 49.43 0.5 Allowed Glycine 0 CA--C 1.508 -0.351 0 CA-C-N 116.082 -0.508 . . . . 62.24 111.853 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -108.52 -71.48 0.76 Allowed 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 119.206 -0.426 . . . . 73.41 111.262 -176.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -162.0 -72.77 0.05 Allowed 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.07 0.396 . . . . 75.24 112.07 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 . . . . . 0 C--O 1.245 0.833 0 CA-C-N 116.298 -0.41 . . . . 74.21 111.706 -169.432 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 112.162 -0.375 . . . . 73.03 112.162 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -92.82 -166.22 1.49 Allowed 'General case' 0 C--O 1.241 0.657 0 C-N-CA 122.833 0.453 . . . . 74.41 110.21 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 73.87 12.59 4.34 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.609 1.164 . . . . 64.11 112.083 173.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 69.5 mtm -81.53 110.48 16.96 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.584 -0.697 . . . . 74.54 109.225 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.438 ' HB ' ' OE1' ' A' ' 7' ' ' GLN . 15.2 p -71.69 -39.7 70.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.367 -0.833 . . . . 75.33 111.415 -174.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.6 t 45.61 49.76 10.88 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.05 1.74 . . . . 73.05 113.43 166.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.438 ' OE1' ' HB ' ' A' ' 5' ' ' THR . 2.1 mp0 -61.42 103.82 0.35 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 114.91 -1.041 . . . . 73.31 112.447 178.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -111.16 76.98 1.0 Allowed 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.413 -0.958 . . . . 75.1 108.413 168.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -100.41 167.51 10.34 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.773 -1.195 . . . . 75.02 107.773 170.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.5 HD11 ' CD1' ' A' ' 89' ' ' TRP . 48.9 tp -62.33 -30.95 71.53 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 123.13 0.268 . . . . 73.52 110.892 178.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.5 mt -58.89 -49.73 76.68 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 123.82 0.7 . . . . 71.52 111.899 172.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -64.19 -34.17 77.48 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.044 0.45 . . . . 75.14 111.068 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -69.17 -42.91 75.25 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.434 -0.803 . . . . 74.43 111.895 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 pp -75.19 -21.95 58.34 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 112.69 0.626 . . . . 75.12 112.69 -177.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -61.39 -37.34 83.09 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.321 0.648 . . . . 74.2 111.794 173.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 p -119.04 23.15 11.54 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 111.965 0.358 . . . . 75.54 111.965 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.2 130.9 34.8 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.642 -0.503 . . . . 71.42 109.642 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -94.54 -52.26 4.39 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.667 -0.864 . . . . 71.24 108.667 172.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.0 ttp -114.78 130.01 56.78 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.55 -1.205 . . . . 74.4 109.381 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.5 tp -122.6 128.89 51.27 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.387 0.613 . . . . 74.22 109.662 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 5.3 tt0 -109.65 152.49 25.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.883 -1.053 . . . . 75.21 110.437 -174.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.66 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 7.2 tt -137.24 112.88 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.202 0 CA-C-O 121.818 0.818 . . . . 74.33 110.869 173.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.34 26.86 16.06 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.684 1.194 . . . . 71.43 113.439 176.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.29 -20.64 47.81 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 120.927 -0.654 . . . . 53.01 112.907 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 tt -97.75 112.03 24.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.703 -0.851 . . . . 73.14 108.703 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 9.9 p80 -85.06 144.24 28.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.429 -0.508 . . . . 73.44 111.895 -173.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.2 157.09 18.39 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.786 -0.643 . . . . 72.04 109.706 173.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 10.6 p-90 -96.39 -17.77 20.39 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.01 -0.367 . . . . 73.43 110.01 176.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -153.36 140.8 19.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.215 0.606 . . . . 74.04 109.957 -174.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.438 ' O ' ' HA3' ' A' ' 110' ' ' GLY . 49.8 p90 -140.19 153.41 46.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.109 -0.496 . . . . 71.11 110.407 172.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -124.38 143.95 50.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.05 0.452 . . . . 60.25 111.359 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.0 mt -113.48 147.77 37.24 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.599 -1.182 . . . . 75.15 108.941 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -82.53 97.72 8.59 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.604 -0.887 . . . . 71.24 108.604 174.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -72.32 -34.48 68.12 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.207 -0.906 . . . . 73.31 111.914 -171.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -65.05 -39.58 93.49 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.586 0.754 . . . . 70.12 111.05 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.2 tp -78.84 -32.03 45.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 72.11 111.466 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.1 -21.92 56.13 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.991 -0.55 . . . . 72.35 111.821 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.47 -41.25 89.3 Favored 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.322 0.388 . . . . 73.32 110.005 171.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -75.45 -26.91 58.66 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.687 -0.688 . . . . 71.43 111.472 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.96 81.8 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.285 0.634 . . . . 74.43 111.202 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -78.65 -32.3 47.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.703 -0.681 . . . . 73.11 110.643 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.13 -46.65 88.93 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.939 0.896 . . . . 73.4 110.286 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.71 -37.71 85.26 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.373 -0.831 . . . . 71.5 111.029 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.79 74.61 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.053 0.39 . . . . 72.23 112.053 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -79.57 -11.74 59.87 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.28 -0.418 . . . . 73.33 111.805 175.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.8 8.89 35.02 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.046 0.539 . . . . 74.32 111.529 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.8 t70 64.91 30.33 12.04 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 125.044 1.338 . . . . 73.34 111.562 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -117.54 124.33 29.03 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.957 -0.565 . . . . 65.01 109.771 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.26 125.78 14.02 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.632 2.221 . . . . 75.11 111.618 172.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -95.39 136.62 35.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.352 -0.386 . . . . 74.32 110.336 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -148.28 137.23 21.8 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.559 -0.746 . . . . 71.44 109.795 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.8 p -146.87 150.65 35.66 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 123.737 0.648 . . . . 65.12 110.34 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -99.58 15.43 26.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.23 -0.441 . . . . 74.04 110.79 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -82.64 165.43 20.03 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 107.975 -1.12 . . . . 73.52 107.975 171.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -69.91 150.81 46.36 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 123.333 0.396 . . . . 74.55 110.302 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.0 p -135.42 -13.71 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.941 0.4 . . . . 72.44 111.042 171.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -135.38 126.18 27.39 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.987 -0.375 . . . . 74.2 109.987 -173.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.1 105.81 7.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.537 0.523 . . . . 73.23 109.644 171.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.43 115.27 42.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 110.034 -0.358 . . . . 72.34 110.034 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' OE2' ' HD2' ' A' ' 67' ' ' ARG . 29.2 tt0 -103.8 121.15 42.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.624 -0.716 . . . . 74.51 109.785 176.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.7 t -126.86 129.07 47.52 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 114.995 -1.002 . . . . 72.15 109.013 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.4 mt -79.41 103.79 9.57 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.021 -0.733 . . . . 74.4 109.021 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -105.06 97.84 7.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.17 -1.377 . . . . 64.51 108.499 -176.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.09 -103.77 2.17 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 110.098 -1.201 . . . . 74.0 110.098 -169.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -133.23 23.41 4.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.917 0.865 . . . . 75.41 109.241 171.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -107.78 139.0 43.02 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 113.873 -1.512 . . . . 72.14 110.481 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.416 ' HD2' ' OE2' ' A' ' 60' ' ' GLU . 45.6 mtm105 -86.85 99.29 11.72 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.633 -0.877 . . . . 73.42 108.633 169.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -87.46 116.26 25.44 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.459 -0.941 . . . . 75.21 108.459 -178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -117.02 129.7 56.19 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.375 -0.83 . . . . 74.45 110.405 -171.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 17.5 m-90 -119.34 125.35 48.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.397 -0.594 . . . . 74.02 109.397 170.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 55.3 mtt180 -116.55 118.79 33.6 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.694 0.759 . . . . 73.43 111.043 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -105.77 144.2 32.85 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.217 -1.356 . . . . 75.0 109.685 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.3 p -75.86 163.18 27.47 Favored 'General case' 0 N--CA 1.443 -0.78 0 O-C-N 123.909 0.755 . . . . 73.21 109.962 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -63.41 -36.74 84.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.473 -0.785 . . . . 74.21 110.219 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.512 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -58.51 -47.69 83.3 Favored 'General case' 0 C--O 1.221 -0.414 0 O-C-N 123.934 0.771 . . . . 72.35 111.885 174.612 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.09 97.88 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.631 0.582 . . . . 75.11 112.175 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.85 -26.06 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 123.82 0.848 . . . . 64.24 112.663 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -78.93 -36.56 41.55 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 122.095 -0.378 . . . . 74.22 111.629 175.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 75' ' ' ASN . 12.0 mm-40 -77.73 -16.13 58.64 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.904 0.482 . . . . 64.43 111.375 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.91 117.26 1.99 Allowed 'General case' 0 N--CA 1.471 0.61 0 O-C-N 124.425 1.078 . . . . 74.54 113.066 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -84.03 126.72 69.41 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 114.384 -1.28 . . . . 74.21 111.153 -170.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -67.1 122.38 9.68 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 121.966 1.777 . . . . 74.4 111.616 174.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -81.46 176.17 9.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.075 -0.511 . . . . 74.23 110.245 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.77 -16.23 63.6 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.851 1.056 . . . . 73.41 113.851 -171.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -89.09 -20.52 24.21 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.663 0.385 . . . . 73.41 111.863 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.01 -12.36 64.32 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 114.176 0.43 . . . . 75.21 114.176 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -109.79 -23.29 11.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 117.295 0.547 . . . . 74.33 111.665 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.5 m -92.64 145.41 24.45 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.664 -0.495 . . . . 74.1 109.664 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.5 ' CD1' HD11 ' A' ' 10' ' ' LEU . 77.8 m95 -130.22 124.89 33.56 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.608 -0.724 . . . . 72.51 110.194 -176.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.1 ttt-85 -81.32 108.41 14.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.116 -0.698 . . . . 62.24 109.116 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 3.5 mm? -89.62 99.36 12.38 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 108.571 -0.899 . . . . 74.52 108.571 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 t -83.85 116.01 22.54 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-O 121.568 0.699 . . . . 72.4 109.145 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 59.3 p -118.6 -174.45 2.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.318 -0.855 . . . . 63.03 109.482 -177.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.34 -15.08 78.99 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.89 -0.484 . . . . 71.4 111.89 174.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -98.03 -50.31 4.44 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 122.391 0.277 . . . . 71.31 111.577 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 179.37 -160.88 26.55 Favored Glycine 0 C--O 1.224 -0.507 0 C-N-CA 121.43 -0.414 . . . . 73.21 112.564 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 91' ' ' LEU . . . -102.46 135.5 43.98 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 122.678 0.391 . . . . 73.21 110.801 -176.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -130.99 118.86 21.24 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.945 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.66 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 25.7 tt0 -84.4 101.71 12.21 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 116.251 -0.431 . . . . 74.41 111.289 -174.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.452 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 28.9 mt -92.43 110.56 21.97 Favored 'General case' 0 C--O 1.212 -0.88 0 N-CA-C 109.215 -0.661 . . . . 73.31 109.215 176.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -110.17 113.64 26.49 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.187 0.518 . . . . 75.32 109.969 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 75.6 m -83.73 122.16 28.27 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.829 -1.078 . . . . 73.42 110.878 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.1 mt -122.3 150.07 42.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.929 -1.032 . . . . 75.4 109.63 -175.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 83.68 169.54 45.23 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.92 -0.657 . . . . 72.11 113.779 176.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.85 78.37 1.67 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.313 0.578 . . . . 74.31 110.845 -176.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.0 t -145.45 128.7 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 N-CA-C 104.647 -2.353 . . . . 74.23 104.647 173.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.3 m -57.15 96.57 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 113.855 1.057 . . . . 72.53 113.855 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 54.21 103.37 0.01 OUTLIER 'General case' 0 C--N 1.359 0.981 0 O-C-N 125.732 1.895 . . . . 75.2 113.614 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.0 m -109.72 100.24 9.28 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.743 0.783 . . . . 74.04 110.74 176.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.438 ' HA3' ' O ' ' A' ' 30' ' ' PHE . . . -157.08 -97.9 0.14 Allowed Glycine 0 N--CA 1.441 -0.97 0 CA-C-N 114.991 -1.004 . . . . 63.33 113.112 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 74.2 122.31 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.054 1.742 . . . . 73.13 112.055 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 73.53 118.82 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 126.151 1.78 . . . . 74.31 112.167 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 C--O 1.236 0.347 0 CA-C-N 115.511 -0.768 . . . . 73.5 110.117 -178.532 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 112.477 -0.249 . . . . 74.24 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 p -143.11 111.99 6.5 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 109.152 -0.684 . . . . 72.13 109.152 173.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -66.59 -31.72 72.6 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 123.842 0.714 . . . . 65.5 111.493 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 66.5 mtt -70.77 117.39 12.22 Favored 'General case' 0 CA--C 1.512 -0.483 0 O-C-N 123.949 0.781 . . . . 75.41 109.634 172.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -82.58 -36.01 26.6 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 113.977 -1.465 . . . . 72.33 110.221 -173.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 t -102.2 95.92 6.64 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 122.113 0.958 . . . . 73.05 109.986 168.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -80.24 108.85 14.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.419 -0.81 . . . . 72.53 109.894 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -124.2 76.95 1.51 Allowed 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 108.236 -1.024 . . . . 74.1 108.236 171.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.483 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 90.7 m-85 -98.16 174.3 6.59 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 107.396 -1.335 . . . . 75.21 107.396 171.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.542 HD11 ' CD1' ' A' ' 89' ' ' TRP . 57.6 tp -65.31 -22.26 66.81 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 117.883 0.31 . . . . 72.15 110.851 174.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.2 tp -64.35 -41.3 96.82 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.453 0.701 . . . . 75.22 112.176 173.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -76.72 -27.05 55.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.239 0.542 . . . . 64.12 110.57 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 56.1 mm-40 -77.1 -33.29 56.99 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 115.395 -0.82 . . . . 75.23 112.654 -177.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 pp -74.31 -23.52 59.09 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.038 0.381 . . . . 74.31 111.762 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -70.71 -29.93 66.34 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.711 -0.677 . . . . 72.31 111.546 173.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.5 p -113.98 21.14 15.13 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.247 0.462 . . . . 75.34 112.247 -177.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.17 139.98 37.95 Favored 'General case' 0 CA--C 1.514 -0.434 0 O-C-N 122.281 -0.262 . . . . 74.3 110.303 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -103.35 -51.9 3.13 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.666 -0.864 . . . . 73.42 108.666 171.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.5 ttp -105.18 130.28 53.38 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.422 -0.955 . . . . 52.22 108.422 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.6 tp -122.54 120.25 33.26 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.803 -0.814 . . . . 62.51 108.803 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.507 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 28.8 tt0 -95.54 140.36 30.49 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.466 -0.788 . . . . 65.24 108.933 -175.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.509 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 14.6 tt -131.22 111.83 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-O 122.04 0.924 . . . . 74.03 111.647 174.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t70 62.8 21.9 13.07 Favored 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 124.771 1.228 . . . . 74.22 111.469 175.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.35 7.64 51.44 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 116.246 -0.434 . . . . 73.32 113.639 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.1 mt -113.45 108.19 16.86 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 117.198 0.499 . . . . 73.23 110.415 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -80.14 116.16 20.1 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.19 0.519 . . . . 75.23 110.688 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.59 135.76 37.34 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.426 -0.806 . . . . 53.32 111.279 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.9 p-90 -82.44 -21.14 35.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.379 -0.828 . . . . 74.24 109.607 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -149.32 135.65 19.21 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.874 -1.057 . . . . 75.35 108.411 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -129.61 150.76 50.79 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.598 -0.728 . . . . 73.04 109.099 171.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -112.39 143.12 44.05 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 114.885 -1.052 . . . . 74.3 109.894 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.5 mt -121.15 145.95 47.28 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.693 -0.685 . . . . 71.41 109.541 177.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -88.85 87.7 7.33 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.77 -1.196 . . . . 74.12 107.77 173.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -74.17 -20.13 60.32 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.435 -0.802 . . . . 75.32 112.674 -174.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -69.36 -43.6 73.28 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.799 0.839 . . . . 73.22 110.137 172.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.5 tp -77.9 -26.7 49.28 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.255 -0.884 . . . . 73.0 111.131 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -82.45 -19.13 39.55 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.284 -0.416 . . . . 73.54 111.811 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -71.02 -37.36 72.61 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.736 -0.839 . . . . 73.13 108.736 170.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -79.26 -24.31 43.07 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.059 -0.973 . . . . 73.43 111.576 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.28 -39.15 68.57 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.066 0.46 . . . . 62.21 111.09 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.19 -35.59 69.01 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 115.204 -0.907 . . . . 74.51 110.397 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 tt -59.84 -29.84 68.54 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.236 1.415 . . . . 71.12 112.021 173.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.14 -39.93 14.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.714 -0.221 . . . . 72.12 110.434 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.93 -33.21 75.29 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 122.815 0.446 . . . . 74.14 111.742 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.89 -22.93 52.68 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.732 -0.667 . . . . 54.51 110.532 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.54 10.39 30.51 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.064 0.546 . . . . 74.2 111.683 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 t70 72.14 16.14 5.32 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.243 1.017 . . . . 74.05 111.473 174.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -110.71 150.47 41.81 Favored Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 123.442 0.697 . . . . 71.05 110.851 -175.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -77.78 134.88 13.83 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 122.387 2.058 . . . . 71.01 111.718 170.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -95.85 134.07 39.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.523 -0.547 . . . . 75.44 109.523 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -140.86 122.09 14.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.873 -0.603 . . . . 63.2 110.072 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.7 t -142.59 145.82 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 65.31 109.779 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -101.38 9.18 41.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.611 -0.268 . . . . 71.24 111.219 175.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -79.44 159.09 27.17 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.383 -0.969 . . . . 64.22 108.383 172.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.6 p-90 -62.35 151.58 36.34 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 123.867 0.729 . . . . 75.13 110.816 -177.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.9 p -136.48 -16.39 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 120.995 0.426 . . . . 65.13 110.811 172.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 1.8 tm? -137.87 125.16 21.75 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.614 -0.513 . . . . 74.03 109.614 -171.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 70' ' ' TRP . . . -136.11 105.84 6.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.938 0.399 . . . . 74.32 111.326 174.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.553 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -100.49 124.69 54.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.947 0 CA-C-N 116.611 -0.268 . . . . 74.01 110.569 -176.233 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -108.39 118.55 37.07 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.561 -0.455 . . . . 75.14 111.149 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.1 m -122.54 136.96 55.02 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.41 -0.813 . . . . 71.42 109.59 174.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.531 ' HA ' ' O ' ' A' ' 66' ' ' THR . 9.7 mp -93.97 106.74 18.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.961 -0.563 . . . . 72.14 111.14 177.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' A' ' 66' ' ' THR . 25.0 t70 -94.3 95.88 9.2 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.335 -0.987 . . . . 70.15 108.335 168.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.57 -118.62 4.77 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 109.803 -1.319 . . . . 73.22 109.803 -166.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.0 mmt-85 -116.98 16.2 15.1 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.827 0.823 . . . . 75.41 109.465 168.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.531 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 54.0 m -76.93 100.26 5.52 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.31 -1.314 . . . . 72.5 109.671 171.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.454 ' HD2' ' H ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -93.66 97.31 10.38 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 122.138 0.971 . . . . 74.04 109.009 178.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -110.26 132.01 54.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.741 -0.663 . . . . 63.22 109.831 -174.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.553 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -111.97 134.94 53.21 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.666 0.746 . . . . 74.32 110.474 175.262 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 22.9 m-90 -103.78 122.14 44.47 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.328 -0.99 . . . . 73.45 108.328 176.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.454 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 62.0 mtm180 -113.92 114.92 26.87 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.347 0.594 . . . . 73.42 110.855 -172.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -110.61 143.24 41.33 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.405 -0.816 . . . . 53.42 110.863 -176.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.0 m -70.92 160.27 33.16 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 124.377 1.048 . . . . 74.31 111.137 176.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -61.7 -40.12 93.89 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.479 -0.782 . . . . 75.14 110.707 176.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.448 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -58.23 -42.76 87.02 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.106 0.879 . . . . 61.5 112.289 174.837 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.92 -33.0 73.85 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 124.234 0.959 . . . . 75.02 112.715 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 24.1 t -78.84 -24.5 13.09 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 122.878 0.471 . . . . 73.2 111.385 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.17 -37.47 53.71 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 122.305 -0.247 . . . . 73.25 111.354 174.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 75' ' ' ASN . 11.4 pt-20 -88.76 10.14 21.99 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.665 0.617 . . . . 74.31 112.665 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.35 124.33 19.66 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 123.733 0.645 . . . . 73.52 110.741 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.46 123.09 85.73 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.0 -1.0 . . . . 71.02 111.404 -170.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -69.85 122.85 9.49 Favored 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 122.292 1.995 . . . . 62.2 111.778 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -90.37 170.29 10.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.888 -0.596 . . . . 72.13 110.607 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.22 -5.19 53.75 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.313 -0.858 . . . . 72.34 111.179 173.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -72.49 -24.26 61.15 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.615 -0.72 . . . . 75.2 111.172 173.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.93 -14.94 29.44 Favored Glycine 0 C--N 1.342 0.881 0 N-CA-C 115.447 0.939 . . . . 73.21 115.447 175.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -127.02 -37.79 2.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.168 0.484 . . . . 74.33 110.472 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.6 m -74.17 134.13 42.78 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.042 -0.527 . . . . 74.41 110.791 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.542 ' CD1' HD11 ' A' ' 10' ' ' LEU . 63.4 m95 -115.96 147.32 41.29 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 107.65 -1.241 . . . . 74.34 107.65 172.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -103.27 114.02 27.97 Favored 'General case' 0 N--CA 1.432 -1.331 0 C-N-CA 119.668 -0.813 . . . . 75.01 110.377 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.99 99.76 12.67 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 107.269 -1.382 . . . . 75.03 107.269 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.1 t -85.65 130.88 34.46 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.109 -0.951 . . . . 74.04 109.353 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.7 p -134.89 -177.23 4.53 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.578 -0.737 . . . . 72.34 110.078 -175.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -79.67 -13.05 82.94 Favored Glycine 0 C--N 1.334 0.452 0 N-CA-C 111.634 -0.586 . . . . 61.31 111.634 170.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -81.77 -46.4 14.28 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.252 -0.648 . . . . 74.3 109.252 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.75 -110.25 0.36 Allowed Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.921 -0.581 . . . . 71.21 111.83 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -155.63 131.93 10.21 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 123.506 0.722 . . . . 73.21 110.256 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -118.66 125.09 48.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.999 -1.001 . . . . 62.53 108.45 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.509 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 42.2 tt0 -84.31 100.4 11.22 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.235 -0.586 . . . . 71.41 110.549 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.507 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 20.8 mt -93.7 107.96 19.76 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.038 -0.356 . . . . 74.24 110.038 176.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -112.63 120.48 41.72 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 121.517 0.675 . . . . 75.33 110.063 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.64 116.39 22.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.542 -1.208 . . . . 74.14 111.409 -177.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 79.6 mt -123.33 163.18 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.85 -1.068 . . . . 73.03 110.796 -174.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.01 -48.49 1.0 Allowed Glycine 0 N--CA 1.446 -0.691 0 CA-C-O 119.532 -0.593 . . . . 63.42 113.71 172.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 64.95 30.92 11.71 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.652 1.181 . . . . 72.4 112.52 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.7 t -122.46 121.33 63.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 N-CA-C 106.575 -1.639 . . . . 73.23 106.575 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.5 m -55.28 112.0 0.99 Allowed 'General case' 0 C--N 1.314 -0.976 0 O-C-N 124.688 1.242 . . . . 73.45 112.612 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -130.25 142.12 50.58 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.011 -0.54 . . . . 73.34 111.108 -177.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.6 m -116.77 138.04 51.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.124 -0.944 . . . . 74.54 110.015 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -109.54 95.52 0.89 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.863 -0.684 . . . . 62.45 112.162 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -74.18 106.84 6.02 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 122.726 0.41 . . . . 75.22 111.101 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.3 130.16 35.17 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.437 0.637 . . . . 74.35 111.374 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 C--O 1.242 0.674 0 CA-C-O 118.115 -0.945 . . . . 73.44 110.237 -178.363 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 112.5 -0.24 . . . . 70.2 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 m -127.0 128.06 45.78 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 110.106 -0.331 . . . . 72.04 110.106 172.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -88.4 -25.53 22.63 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.286 -0.635 . . . . 74.25 109.286 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 67.9 mtt -66.64 132.15 47.53 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.693 -0.484 . . . . 72.51 109.693 175.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 p -58.25 -55.7 31.58 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 124.445 1.09 . . . . 73.23 110.644 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.25 13.2 t 41.8 54.65 3.84 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.373 1.869 . . . . 64.25 114.588 173.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -83.22 81.13 8.83 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 122.136 0.97 . . . . 74.24 108.879 169.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -113.27 60.4 0.65 Allowed 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 114.657 -1.156 . . . . 74.25 108.48 -173.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.451 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 32.8 m-85 -73.63 169.98 16.17 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.26 -1.336 . . . . 73.43 107.513 172.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.436 HD11 ' CD1' ' A' ' 89' ' ' TRP . 56.3 tp -58.11 -26.74 63.0 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.501 0.556 . . . . 72.11 112.501 -177.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.4 -47.67 83.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.646 0.592 . . . . 62.35 112.247 174.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.05 -30.81 70.99 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.608 0.363 . . . . 74.35 110.924 176.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 18.2 mm-40 -73.02 -37.63 66.87 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 112.873 0.694 . . . . 75.45 112.873 -176.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -75.71 -21.76 57.24 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.361 0.504 . . . . 73.21 112.361 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -79.44 -29.24 41.74 Favored 'General case' 0 C--N 1.332 -0.166 0 O-C-N 123.418 0.449 . . . . 75.15 111.397 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 p -101.12 9.67 41.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 74.15 111.556 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.94 139.03 31.9 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.065 0.46 . . . . 73.04 111.105 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.509 ' HB3' ' O ' ' A' ' 106' ' ' VAL . 10.9 m-20 -93.77 -31.37 14.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.93 -1.032 . . . . 61.5 109.281 173.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.5 ttp -135.21 138.74 43.91 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 114.191 -1.368 . . . . 61.44 108.674 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.3 tp -131.84 116.05 16.72 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.116 -0.633 . . . . 72.33 110.467 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -99.5 146.07 26.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.209 -0.905 . . . . 73.21 109.573 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.8 tt -136.42 112.02 11.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-O 121.738 0.78 . . . . 73.13 111.805 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 65.04 21.39 12.25 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.116 1.366 . . . . 72.24 111.622 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.08 -23.5 35.46 Favored Glycine 0 C--N 1.346 1.117 0 CA-C-N 116.156 -0.474 . . . . 74.23 112.654 -174.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 tt -81.65 127.1 32.54 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.427 -0.953 . . . . 74.24 108.427 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -88.51 124.69 34.25 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.36 -0.382 . . . . 73.32 110.921 -174.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.42 ' HA ' ' OG ' ' A' ' 61' ' ' SER . . . -77.31 129.49 35.93 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.722 -0.672 . . . . 71.14 109.681 174.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.1 p-90 -72.52 -27.99 62.58 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 109.525 -0.546 . . . . 75.13 109.525 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.2 ptt85 -152.62 169.16 23.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.6 -0.727 . . . . 54.53 109.741 173.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -141.66 159.96 41.15 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.116 -0.698 . . . . 74.43 109.116 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -138.02 139.19 39.5 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 109.136 -0.69 . . . . 65.11 109.136 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.9 mt -120.43 143.46 48.46 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.449 -0.341 . . . . 73.14 110.989 -174.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.518 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 33.4 t-20 -86.9 90.51 8.35 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.033 -0.729 . . . . 71.22 109.033 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -74.38 -25.99 59.83 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.779 0.832 . . . . 75.51 111.875 -175.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -61.99 -45.99 91.2 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.085 0.866 . . . . 74.54 110.948 171.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.5 tp -75.82 -24.74 55.89 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.277 -0.42 . . . . 74.33 111.308 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 47.1 mt -78.36 -25.21 46.25 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.259 0.466 . . . . 75.12 112.259 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.51 -43.9 88.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.706 0.629 . . . . 71.14 110.231 170.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -74.08 -31.48 62.85 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.709 0.631 . . . . 71.54 111.341 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.408 ' HB3' ' HH ' ' A' ' 74' ' ' TYR . . . -67.99 -43.72 78.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.019 -0.991 . . . . 73.21 111.569 177.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -73.07 -33.01 65.38 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 124.037 0.836 . . . . 64.03 110.586 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.6 tt -57.31 -46.48 83.15 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.819 1.247 . . . . 73.51 110.979 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.43 -39.32 59.05 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.835 -0.621 . . . . 63.4 111.166 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.35 -28.83 67.48 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.935 0.717 . . . . 75.32 112.935 -177.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -77.7 -15.71 58.97 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 122.803 0.441 . . . . 72.4 111.336 174.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.11 6.27 49.2 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.271 -0.422 . . . . 73.51 111.252 174.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 t70 72.78 4.71 5.05 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 125.939 1.695 . . . . 74.35 111.771 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -88.99 125.89 60.94 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.376 -0.602 . . . . 71.11 109.376 -176.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -66.39 124.22 12.2 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 121.868 1.712 . . . . 70.31 112.227 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -96.21 133.02 41.04 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.74 -0.837 . . . . 72.42 108.74 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.07 117.89 8.17 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.226 -0.657 . . . . 70.33 109.226 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.2 p -138.5 142.79 39.36 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.782 -0.451 . . . . 73.53 109.782 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -95.05 13.49 24.97 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.841 -0.344 . . . . 74.42 111.927 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.17 153.66 31.85 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.161 -1.051 . . . . 63.2 108.161 170.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.425 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 8.4 p-90 -60.85 150.28 33.41 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.262 0.977 . . . . 73.15 111.074 -177.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.0 p -131.34 -23.73 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.905 0.383 . . . . 71.35 110.716 174.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.8 tp -142.34 122.29 13.63 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.061 0.458 . . . . 73.34 110.998 -173.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.82 107.48 14.18 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.337 -0.847 . . . . 73.24 109.454 172.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.35 108.55 22.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.155 -0.683 . . . . 63.3 109.155 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -100.71 128.33 46.8 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.495 -0.775 . . . . 72.14 109.736 -172.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.42 ' OG ' ' HA ' ' A' ' 27' ' ' ALA . 22.2 m -127.45 131.23 50.25 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.163 -0.926 . . . . 74.45 109.74 176.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.1 mt -96.62 106.35 18.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.532 -0.914 . . . . 74.33 108.532 172.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.406 ' O ' HG23 ' A' ' 66' ' ' THR . 30.4 t70 -104.64 97.69 7.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.815 -0.63 . . . . 62.21 109.629 -174.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.83 -96.71 1.08 Allowed Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.088 -0.96 . . . . 53.41 110.705 -170.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -136.26 21.32 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.74 0.416 . . . . 73.13 110.849 174.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 63' ' ' ASP . 6.7 t -104.45 141.74 35.82 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.235 0.541 . . . . 70.43 110.108 174.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -97.93 108.36 21.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.986 -0.746 . . . . 74.21 108.986 175.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -123.49 114.34 19.96 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-O 121.572 0.701 . . . . 73.33 110.146 177.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.75 137.32 52.28 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.764 -1.107 . . . . 70.2 109.432 175.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 21.4 m-90 -103.2 122.03 43.89 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.407 -0.96 . . . . 74.44 108.407 176.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -107.34 109.91 21.78 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.284 -0.871 . . . . 73.32 108.985 -177.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -103.95 139.79 38.62 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 115.198 -0.91 . . . . 74.41 109.604 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 37.3 p -76.02 163.23 27.35 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 124.327 1.017 . . . . 75.45 110.58 177.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.408 ' HH ' ' HB3' ' A' ' 40' ' ' ALA . 72.4 t80 -62.29 -33.25 74.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.9 -1.046 . . . . 73.12 110.116 173.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -66.98 -37.66 84.64 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 124.682 1.193 . . . . 64.23 111.524 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.44 -38.18 74.48 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.662 0.601 . . . . 73.24 111.986 177.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.3 t -71.76 -27.04 26.81 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 CA-C-N 115.583 -0.735 . . . . 64.54 111.476 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.33 -46.14 74.34 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 122.586 0.354 . . . . 63.3 111.83 174.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -90.37 6.98 40.88 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.604 0.594 . . . . 75.14 112.604 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.93 121.1 14.78 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.859 0.464 . . . . 74.31 111.169 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -78.94 128.74 75.54 Favored Pre-proline 0 N--CA 1.463 0.218 0 CA-C-N 115.308 -0.86 . . . . 74.44 112.244 -169.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -71.91 113.31 3.63 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.611 2.207 . . . . 72.32 112.003 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -74.52 159.09 32.68 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.271 -0.422 . . . . 72.14 110.359 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.2 -5.09 33.3 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.82 -0.627 . . . . 73.41 111.709 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -73.16 -24.78 60.61 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.399 1.08 . . . . 64.11 111.159 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.5 -14.34 35.91 Favored Glycine 0 C--N 1.343 0.929 0 N-CA-C 115.02 0.768 . . . . 72.45 115.02 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -116.83 -26.52 6.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.943 0.871 . . . . 64.11 110.487 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.4 m -95.58 146.02 24.78 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.336 -0.847 . . . . 75.12 111.75 -170.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.436 ' CD1' HD11 ' A' ' 10' ' ' LEU . 73.4 m95 -133.91 147.18 51.08 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.094 -0.957 . . . . 74.32 110.138 -177.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -96.57 112.24 24.06 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 116.624 -0.262 . . . . 73.31 111.545 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.26 97.42 9.14 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.01 -1.108 . . . . 72.45 108.01 168.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.24 97.78 8.25 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 122.684 1.231 . . . . 74.53 109.148 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.5 p -118.26 176.89 5.02 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.931 -1.486 . . . . 74.34 109.879 -172.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.89 -16.3 80.12 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.759 -0.537 . . . . 74.21 111.759 173.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -71.82 -43.0 66.35 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.473 0.709 . . . . 61.24 109.216 169.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.14 -174.41 34.71 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.876 -0.602 . . . . 61.13 112.019 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.25 122.72 38.23 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 123.072 0.549 . . . . 72.32 110.563 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -130.39 131.29 45.22 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.627 -0.715 . . . . 74.24 110.554 -173.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.445 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 40.5 tt0 -95.3 102.77 14.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.361 -0.381 . . . . 74.34 110.862 -177.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.2 mt -91.59 123.25 34.85 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-O 121.255 0.55 . . . . 75.53 110.511 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -125.39 118.69 26.44 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.597 -0.729 . . . . 75.22 110.043 -176.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 2.0 p -83.04 124.35 30.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.398 -1.274 . . . . 71.5 111.105 -177.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.7 mt -127.61 149.9 49.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.639 -0.71 . . . . 75.1 109.966 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.75 76.73 0.39 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.539 -0.838 . . . . 65.14 113.676 -175.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -155.62 19.5 0.4 Allowed 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.844 0.683 . . . . 72.22 112.844 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.509 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 76.0 t -128.29 97.71 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.816 0.817 . . . . 73.53 110.457 -175.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.8 t -138.65 14.05 2.73 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.435 -0.802 . . . . 75.03 110.781 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 59.56 29.37 18.93 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.94 1.296 . . . . 75.42 113.302 175.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.2 t -59.47 126.59 28.24 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.012 0.82 . . . . 75.11 112.107 -171.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 128.25 -55.42 0.76 Allowed Glycine 0 C--O 1.224 -0.53 0 N-CA-C 108.558 -1.817 . . . . 72.45 108.558 -166.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -92.51 -39.37 11.42 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 107.95 -1.13 . . . . 72.11 107.95 166.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.3 t70 75.76 -96.21 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 126.721 2.008 . . . . 71.33 112.141 168.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.47 0.539 0 CA-C-N 118.807 0.73 . . . . 72.43 111.5 177.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.36 0 N-CA-C 112.074 -0.411 . . . . 75.11 112.074 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 t -89.62 127.63 35.93 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.13 0.491 . . . . 71.3 110.288 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -90.88 -3.68 57.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.887 -0.597 . . . . 74.44 110.194 172.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 61.0 mtm -84.97 101.53 12.44 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.738 0.78 . . . . 74.24 109.986 172.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.416 ' HB ' ' OE1' ' A' ' 111' ' ' GLU . 1.4 m -90.74 -22.62 20.99 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.329 -1.305 . . . . 72.44 108.895 176.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.7 m -90.72 41.06 1.04 Allowed 'General case' 0 CA--C 1.553 1.096 0 CA-C-O 122.812 1.291 . . . . 75.13 108.559 166.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -74.86 -23.01 58.35 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.304 -0.862 . . . . 74.1 109.001 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.436 ' O ' ' HH2' ' A' ' 89' ' ' TRP . 30.9 mmm-85 58.46 95.94 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.394 1.878 . . . . 74.02 112.116 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -93.4 -175.6 3.86 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 112.642 -2.072 . . . . 72.24 107.537 172.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 tp -79.38 -11.93 59.92 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 119.974 -0.69 . . . . 74.54 109.685 168.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.1 tp -68.64 -46.36 69.41 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 122.817 0.447 . . . . 64.24 111.226 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.13 -20.05 45.85 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 121.233 -0.187 . . . . 70.43 111.179 176.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -83.56 -19.17 36.09 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 113.777 1.029 . . . . 64.02 113.777 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.75 -24.85 41.27 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.627 0.649 . . . . 71.33 109.876 169.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -71.53 -40.11 70.31 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 115.309 -0.859 . . . . 70.21 111.764 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.452 ' HA ' ' OG ' ' A' ' 107' ' ' SER . 44.7 p -83.89 -17.76 39.7 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 112.188 0.44 . . . . 74.23 112.188 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 119.05 7.44 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 113.269 0.841 . . . . 73.0 113.269 -174.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -86.08 -35.51 20.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.484 -0.932 . . . . 75.35 108.484 170.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.414 ' HB3' ' HB2' ' A' ' 103' ' ' LEU . 7.3 ttm -135.49 150.47 49.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.775 -1.102 . . . . 71.43 108.132 174.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.5 mt -123.72 127.08 47.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.111 0.481 . . . . 74.14 110.492 175.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.491 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 32.3 tt0 -112.03 149.02 32.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.288 -0.869 . . . . 63.13 110.587 -175.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.536 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 2.4 tt -137.49 118.45 17.3 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 CA-C-O 121.84 0.829 . . . . 73.11 111.085 175.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 62.86 26.48 15.59 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.26 1.424 . . . . 74.21 112.864 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.67 8.55 65.45 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 121.539 -0.362 . . . . 73.33 112.849 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 tt -125.83 110.69 13.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.082 -1.081 . . . . 74.22 108.082 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 4.1 p-80 -89.3 140.22 29.71 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.772 1.027 . . . . 74.03 113.772 -174.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.89 146.82 29.62 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 113.713 -1.585 . . . . 72.53 110.741 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 47.3 p-90 -84.45 -26.1 28.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.789 -0.641 . . . . 73.55 110.454 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -142.08 136.41 30.11 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.964 -0.562 . . . . 65.05 109.571 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -134.76 158.76 43.33 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.023 -0.99 . . . . 73.11 109.787 171.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -129.33 145.91 51.3 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.621 0.576 . . . . 71.31 109.765 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.0 mt -115.76 143.63 45.12 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.158 -1.053 . . . . 75.41 108.158 176.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.53 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 45.9 t-20 -85.73 92.07 8.49 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.617 -0.883 . . . . 74.5 108.617 176.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -72.58 -26.28 61.65 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.874 0.734 . . . . 73.33 112.054 -176.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -66.6 -39.27 88.31 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 123.996 0.81 . . . . 73.22 110.84 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.5 tp -81.32 -25.49 36.4 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.963 -0.562 . . . . 72.54 111.011 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 81.3 mt -78.31 -23.62 47.0 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.304 0.377 . . . . 74.31 111.655 176.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 27.4 t70 -65.18 -41.96 94.08 Favored 'General case' 0 C--O 1.223 -0.296 0 O-C-N 124.218 0.949 . . . . 63.25 110.002 171.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -79.12 -28.08 42.9 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 124.201 0.938 . . . . 74.52 111.4 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.83 -36.96 70.37 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.49 0.494 . . . . 74.23 111.014 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 36.3 t70 -79.95 -31.05 39.96 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.341 -0.845 . . . . 64.24 110.197 178.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 38' ' ' ASP . 3.6 tt -61.9 -42.7 99.39 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.968 0.907 . . . . 73.52 109.854 173.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.65 81.27 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 115.25 -0.886 . . . . 75.33 111.482 176.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.32 83.72 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 111.962 0.356 . . . . 72.01 111.962 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 41' ' ' ASP . 50.2 mt-10 -70.68 -27.33 63.94 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.902 0.481 . . . . 74.13 111.921 175.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.33 5.52 51.28 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.815 0.446 . . . . 62.52 112.026 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 t70 61.44 35.14 17.83 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 122.783 1.277 . . . . 75.44 111.126 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -106.32 136.73 19.32 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.106 -0.952 . . . . 74.12 109.569 177.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -72.8 124.61 9.84 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.14 1.893 . . . . 65.05 111.148 171.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -105.49 114.44 28.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 75.05 110.75 -174.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -128.57 118.61 23.29 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.795 -0.639 . . . . 54.24 109.972 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 p -134.89 146.04 48.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.099 0.476 . . . . 71.34 111.222 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -98.18 10.44 40.55 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.48 -0.782 . . . . 64.45 111.543 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -79.29 166.54 22.02 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.676 -0.861 . . . . 54.14 108.676 174.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.1 p-90 -70.52 152.31 44.13 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 109.964 -0.384 . . . . 75.25 109.964 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.71 -20.88 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-O 121.128 0.49 . . . . 73.03 111.086 170.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.47 125.12 28.29 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.173 -0.677 . . . . 75.11 109.173 -173.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.48 108.4 9.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.823 0.344 . . . . 64.25 110.896 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -106.45 131.33 56.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.258 -0.645 . . . . 75.21 109.258 177.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -132.05 132.6 43.51 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.6 0.714 . . . . 74.2 110.534 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.3 t -132.4 157.11 45.37 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.387 -0.824 . . . . 72.22 111.009 -174.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.0 mt -103.68 108.85 20.32 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.618 -0.719 . . . . 72.22 110.302 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -110.81 100.43 9.17 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.965 0.888 . . . . 75.41 110.137 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.97 -99.49 2.23 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.398 -0.819 . . . . 62.41 111.332 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -128.88 10.05 5.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.904 0.859 . . . . 75.33 109.471 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -100.31 139.05 36.54 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.66 -1.155 . . . . 73.53 110.732 -173.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -108.53 103.51 12.64 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.804 -0.634 . . . . 73.3 109.323 174.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.4 ttm105 -109.4 125.56 52.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.995 -0.548 . . . . 74.43 110.772 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -116.5 134.58 54.69 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.68 -0.691 . . . . 61.0 111.046 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 16.5 m-90 -111.35 124.25 51.86 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.716 -1.129 . . . . 75.34 108.545 173.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -117.34 122.92 45.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.434 0.635 . . . . 72.4 110.401 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -114.97 141.8 47.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.871 -1.058 . . . . 73.02 110.688 -174.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 55.7 m -76.8 165.58 24.51 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 124.401 1.063 . . . . 73.52 110.676 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -68.06 -34.15 75.9 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.875 -0.602 . . . . 74.01 111.012 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -39.68 88.9 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 124.007 0.817 . . . . 74.41 111.784 173.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.8 -31.57 69.55 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.741 0.651 . . . . 74.44 112.022 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.6 t -82.69 -23.81 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-O 121.02 0.438 . . . . 75.43 111.28 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 24.1 mmt -75.82 -36.6 59.62 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.461 -0.336 . . . . 74.23 110.955 174.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -85.62 2.88 43.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 123.613 0.57 . . . . 73.02 112.238 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.03 114.16 2.7 Favored 'General case' 0 C--O 1.242 0.693 0 O-C-N 123.803 0.689 . . . . 74.43 111.023 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -87.11 131.99 42.97 Favored Pre-proline 0 CA--C 1.512 -0.515 0 CA-C-N 114.956 -1.02 . . . . 63.35 110.5 -172.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -64.5 134.7 42.53 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.227 1.951 . . . . 75.1 111.472 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -101.36 160.88 14.04 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 108.446 -0.946 . . . . 74.34 108.446 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.73 -5.76 45.09 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.026 0.441 . . . . 74.53 111.504 176.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -73.75 -24.69 59.92 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.89 0.876 . . . . 73.41 110.95 172.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.39 -14.31 23.51 Favored Glycine 0 C--N 1.344 1.021 0 N-CA-C 115.137 0.815 . . . . 74.2 115.137 175.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -116.83 -40.11 3.19 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 117.436 0.618 . . . . 75.15 110.365 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.5 m -80.57 147.04 30.95 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.892 -0.594 . . . . 54.25 111.325 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.436 ' HH2' ' O ' ' A' ' 8' ' ' ARG . 83.9 m95 -130.66 144.15 51.23 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.513 -0.767 . . . . 74.53 109.238 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.3 ttt180 -88.07 97.23 10.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.48 0.657 . . . . 73.33 109.865 177.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.8 99.38 12.43 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.555 -1.202 . . . . 73.42 108.426 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 p -92.8 130.34 38.44 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.324 0.583 . . . . 73.22 110.356 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.2 p -129.52 -178.51 4.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.916 -1.038 . . . . 72.03 110.716 -176.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.49 -5.46 89.84 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 115.7 -0.682 . . . . 73.21 111.672 169.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -92.76 -13.29 29.46 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.291 0.636 . . . . 74.31 110.675 175.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 137.21 -112.09 0.9 Allowed Glycine 0 C--N 1.34 0.757 0 N-CA-C 111.23 -0.748 . . . . 73.52 111.23 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -157.67 147.04 19.91 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.872 0.469 . . . . 43.33 109.857 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -133.22 147.81 52.0 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.328 -0.99 . . . . 75.22 108.328 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.536 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 13.2 tt0 -94.38 100.09 12.18 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.415 -0.587 . . . . 75.14 109.415 176.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.57 109.95 21.56 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.782 -0.822 . . . . 74.25 108.782 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -110.27 120.7 43.29 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.691 -0.686 . . . . 74.33 109.34 -175.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 3.8 p -82.78 120.31 25.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.364 0.602 . . . . 73.14 110.563 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 20.7 mt -107.47 141.31 39.08 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.208 -0.905 . . . . 74.24 111.126 -174.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 93.92 -74.77 1.1 Allowed Glycine 0 N--CA 1.438 -1.197 0 CA-C-N 114.968 -1.014 . . . . 64.12 112.886 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 59.37 32.23 21.68 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.821 1.248 . . . . 72.04 111.843 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.1 t -97.61 87.86 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 121.973 0.892 . . . . 71.1 109.755 -176.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.452 ' OG ' ' HA ' ' A' ' 16' ' ' THR . 5.1 p -176.66 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 112.834 -1.985 . . . . 72.23 107.33 175.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.4 15.36 9.88 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 125.709 1.604 . . . . 72.02 114.235 165.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.0 m -106.39 85.49 2.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.57 0.7 . . . . 72.42 111.353 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -113.62 -51.61 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 114.992 -1.003 . . . . 70.34 111.39 172.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.416 ' OE1' ' HB ' ' A' ' 5' ' ' THR . 19.6 tt0 -107.58 33.35 4.09 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 121.926 0.87 . . . . 74.12 108.768 172.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -89.44 99.72 12.66 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 121.301 -0.874 . . . . 72.4 108.781 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 . . . . . 0 C--O 1.241 0.617 0 CA-C-N 114.494 -1.23 . . . . 74.33 110.924 -172.592 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.247 0 N-CA-C 112.061 -0.415 . . . . 73.11 112.061 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 p -82.79 -29.1 29.83 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 123.027 0.531 . . . . 64.5 111.937 -176.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -88.57 86.94 7.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.729 0.776 . . . . 70.25 110.276 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.5 ttt -149.74 142.83 24.97 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 114.088 -1.415 . . . . 73.03 107.454 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.8 p -80.11 -80.98 0.13 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 118.656 -0.688 . . . . 71.4 109.202 172.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.4 t 38.51 33.48 0.07 Allowed 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 126.439 1.895 . . . . 72.01 114.415 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -91.92 -4.28 54.9 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 121.451 -0.78 . . . . 74.22 111.269 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.3 mtm105 62.43 71.78 0.52 Allowed 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 124.808 1.317 . . . . 74.13 109.86 -168.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.425 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 72.3 m-85 -74.07 168.54 19.33 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.057 -1.09 . . . . 72.35 108.057 168.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.498 HD11 ' CD1' ' A' ' 89' ' ' TRP . 56.6 tp -62.42 -25.97 68.24 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 118.142 0.428 . . . . 75.4 111.271 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.0 -49.51 75.77 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.609 -0.723 . . . . 74.52 111.163 171.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -63.8 -33.64 76.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.627 0.771 . . . . 73.3 111.338 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 15.9 mm-40 -66.28 -45.83 79.1 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 114.762 -1.108 . . . . 74.34 112.379 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 pp -74.53 -22.02 59.24 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.98 0.733 . . . . 73.15 112.98 -174.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.84 -21.87 59.03 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.542 0.526 . . . . 74.2 112.247 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.0 p -117.06 17.21 14.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.787 0.327 . . . . 71.41 111.558 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.62 155.75 19.04 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.263 0.554 . . . . 74.14 112.031 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -123.12 -46.91 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.164 -0.925 . . . . 53.23 108.916 174.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.48 ' HG3' ' HB2' ' A' ' 103' ' ' LEU . 4.3 ptm -121.15 129.9 53.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.199 -0.91 . . . . 74.21 110.103 179.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.03 152.53 35.34 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.48 -0.488 . . . . 73.41 110.195 -178.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -129.05 148.51 51.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 75.45 110.612 177.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.432 HG22 HD11 ' A' ' 22' ' ' ILE . 13.6 mt -124.58 98.03 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 114.818 -1.083 . . . . 71.22 108.967 170.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 t70 58.56 36.47 25.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.535 1.134 . . . . 62.04 111.289 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.69 -22.78 35.84 Favored Glycine 0 CA--C 1.524 0.608 0 CA-C-N 115.734 -0.666 . . . . 72.11 113.486 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 tt -77.68 113.93 16.02 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 107.693 -1.225 . . . . 73.55 107.693 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -65.96 121.83 15.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.649 -0.705 . . . . 73.31 111.192 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.446 ' HA ' ' OG ' ' A' ' 61' ' ' SER . . . -83.2 112.32 19.75 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.972 -1.122 . . . . 73.23 107.972 168.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -75.44 -21.68 57.95 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.929 0.395 . . . . 73.54 111.286 -171.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -146.58 152.73 39.41 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 109.09 -0.707 . . . . 62.31 109.09 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -143.56 158.78 43.39 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.174 0.511 . . . . 75.45 109.843 167.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -135.22 140.32 45.18 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.573 -0.899 . . . . 75.33 108.573 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.2 mt -111.7 149.62 31.35 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.767 -0.651 . . . . 75.13 109.877 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.506 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.6 t-20 -82.86 89.95 6.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.014 -1.106 . . . . 75.23 108.014 172.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -71.37 -28.43 64.04 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.0 0.92 . . . . 75.51 111.503 -173.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -65.11 -42.21 94.19 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 124.222 0.951 . . . . 74.21 110.59 175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.1 tp -77.81 -26.22 49.42 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.086 0.554 . . . . 71.53 111.225 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 67.4 mt -81.86 -23.71 36.2 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.231 -0.441 . . . . 74.13 111.764 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -65.8 -40.11 91.59 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 108.996 -0.742 . . . . 63.24 108.996 171.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -73.21 -28.1 61.99 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 114.83 -1.077 . . . . 75.03 111.409 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.77 -17.64 57.3 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.777 0.323 . . . . 75.43 111.424 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -89.59 -41.52 11.94 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.042 -1.095 . . . . 72.21 108.042 -175.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.6 mt -61.82 -38.44 88.16 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 112.701 -2.045 . . . . 74.44 111.853 170.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.42 -38.91 78.1 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.056 -0.52 . . . . 75.31 111.407 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.46 -35.57 80.89 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.39 0.431 . . . . 70.12 111.677 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -74.81 -23.32 58.46 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 115.686 -0.688 . . . . 64.13 112.112 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.94 4.96 53.03 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.549 0.339 . . . . 74.33 111.852 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.8 t70 69.56 21.38 6.74 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.455 1.502 . . . . 72.11 112.061 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -103.38 120.04 53.12 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 115.811 -0.632 . . . . 73.15 109.886 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.58 125.22 15.66 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.17 1.914 . . . . 75.24 110.272 167.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -92.72 128.11 38.47 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.73 -0.47 . . . . 72.13 109.73 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.25 120.15 18.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.736 -0.666 . . . . 74.23 109.61 176.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.2 t -131.32 145.81 52.02 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.741 -0.663 . . . . 72.42 109.681 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -102.29 15.85 27.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.875 0.369 . . . . 73.24 110.866 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.79 -176.98 6.46 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.8 -0.815 . . . . 62.52 108.8 173.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -81.54 156.22 25.35 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 109.627 -0.508 . . . . 74.1 109.627 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 p -137.91 -26.75 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 120.378 -0.529 . . . . 75.24 111.855 172.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -138.49 113.78 9.5 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.39 0.614 . . . . 73.2 110.149 -169.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.27 105.86 13.03 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.153 -0.93 . . . . 65.34 109.245 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.96 120.97 52.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.351 -0.841 . . . . 74.41 110.619 -176.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -107.67 132.36 53.42 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.341 -0.845 . . . . 62.31 109.851 -178.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.446 ' OG ' ' HA ' ' A' ' 27' ' ' ALA . 20.0 m -127.09 144.37 51.05 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.328 -0.851 . . . . 71.51 109.813 176.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -101.44 105.25 16.24 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.918 0.866 . . . . 74.32 108.88 172.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.517 ' O ' ' HB ' ' A' ' 66' ' ' THR . 33.7 t70 -105.64 97.75 7.54 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.213 -1.358 . . . . 74.52 110.246 -170.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.78 -100.69 2.1 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.473 -1.051 . . . . 73.33 110.473 -174.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -132.4 27.93 4.39 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 122.135 0.969 . . . . 72.51 109.152 166.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.517 ' HB ' ' O ' ' A' ' 63' ' ' ASP . 5.4 m -109.58 135.52 50.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.098 -1.41 . . . . 71.51 110.27 -176.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -98.89 102.84 14.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.239 -0.652 . . . . 75.34 109.239 176.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -119.2 128.49 54.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.414 -0.812 . . . . 75.12 110.861 -172.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.69 149.28 50.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.454 0.645 . . . . 71.2 111.878 -177.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 -122.98 127.36 48.73 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.206 -0.907 . . . . 74.43 109.083 175.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -107.96 116.05 31.24 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.622 -0.51 . . . . 74.12 109.622 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -103.83 141.57 35.89 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.987 -0.745 . . . . 71.24 108.987 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.9 m -75.98 161.97 28.47 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.184 -0.916 . . . . 72.13 110.723 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.414 ' O ' ' HG2' ' A' ' 78' ' ' MET . 43.7 t80 -60.69 -40.67 93.06 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.0 -1.0 . . . . 74.23 109.923 174.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -46.33 90.57 Favored 'General case' 0 C--O 1.221 -0.439 0 O-C-N 124.206 0.941 . . . . 63.43 112.064 177.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.75 -44.12 97.52 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 124.146 0.904 . . . . 75.25 111.965 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.7 t -62.83 -36.37 75.22 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 124.01 0.924 . . . . 75.12 112.681 177.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' A' ' 74' ' ' TYR . 98.3 mmm -76.36 -35.98 58.42 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.377 0.51 . . . . 73.52 112.377 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -92.58 6.13 48.4 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 111.911 0.337 . . . . 72.12 111.911 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.56 128.53 36.44 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.668 -0.696 . . . . 75.43 110.569 174.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.0 123.95 86.14 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.111 -0.95 . . . . 71.45 111.522 -170.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -69.4 118.94 5.99 Favored 'Trans proline' 0 C--N 1.358 1.067 0 C-N-CA 122.24 1.96 . . . . 75.15 111.505 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -79.51 161.61 25.92 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.652 -0.869 . . . . 73.12 108.652 177.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.65 -13.52 62.35 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.262 0.467 . . . . 73.42 112.262 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -67.08 -25.37 66.2 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.473 1.109 . . . . 71.03 111.214 172.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.65 -12.93 31.91 Favored Glycine 0 C--N 1.345 1.05 0 N-CA-C 114.923 0.729 . . . . 60.24 114.923 174.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -117.97 -27.68 6.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.156 0.478 . . . . 74.34 110.874 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.3 m -92.55 147.12 23.14 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.021 -0.536 . . . . 73.01 110.579 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.498 ' CD1' HD11 ' A' ' 10' ' ' LEU . 74.7 m95 -131.23 137.06 48.75 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.475 -0.784 . . . . 74.24 109.917 -176.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.441 ' CZ ' ' HB ' ' A' ' 92' ' ' THR . 4.0 tmt_? -95.62 108.11 20.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.512 0.673 . . . . 72.4 109.445 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.526 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 4.2 mm? -91.99 120.15 32.38 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 114.603 -1.181 . . . . 75.04 108.893 177.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.441 ' HB ' ' CZ ' ' A' ' 90' ' ' ARG . 5.2 t -115.26 99.39 7.37 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 123.145 1.45 . . . . 75.22 110.922 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.8 p -115.17 -179.52 3.65 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.987 -1.46 . . . . 74.14 110.294 -170.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.08 -14.54 82.17 Favored Glycine 0 C--N 1.342 0.885 0 N-CA-C 111.479 -0.649 . . . . 73.31 111.479 175.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -78.91 -50.2 11.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.518 -0.549 . . . . 75.43 109.518 169.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.09 -159.31 30.26 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-N 115.908 -0.587 . . . . 44.55 112.981 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.526 ' HA ' ' O ' ' A' ' 91' ' ' LEU . . . -94.26 122.76 37.13 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.888 -0.656 . . . . 65.22 110.842 -178.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -124.87 135.83 53.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.07 -0.968 . . . . 72.02 109.691 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 11.5 tt0 -96.68 103.39 15.3 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.583 -0.447 . . . . 74.34 109.96 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.1 mt -91.95 112.23 24.08 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.444 -0.576 . . . . 73.33 109.444 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -117.41 111.82 19.84 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.384 -0.599 . . . . 75.14 109.384 173.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 79.7 m -83.67 111.95 19.6 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.847 -1.07 . . . . 55.04 110.696 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.48 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 79.2 mt -109.15 171.46 7.42 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.423 -1.262 . . . . 71.25 108.976 178.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 132.61 152.48 7.0 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.432 -0.889 . . . . 54.04 112.695 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.98 25.91 7.54 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.61 0.719 . . . . 65.51 110.884 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.0 t -95.7 1.05 10.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 122.964 1.364 . . . . 71.1 109.949 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.3 p -78.59 -13.33 59.88 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.226 -1.352 . . . . 72.41 110.743 174.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -133.29 32.23 3.71 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.095 -0.502 . . . . 73.52 110.606 172.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.6 t -126.07 124.65 41.1 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.561 -0.291 . . . . 71.34 110.371 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -129.39 90.98 0.31 Allowed Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 116.026 -0.534 . . . . 44.5 113.537 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 37.4 mp0 -84.07 -23.0 31.01 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.805 0.442 . . . . 72.04 110.683 174.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 72.5 95.0 0.07 Allowed 'General case' 0 C--N 1.354 0.783 0 C-N-CA 125.619 1.568 . . . . 73.31 111.768 -174.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--O 1.251 1.173 0 CA-C-N 115.435 -0.802 . . . . 63.02 109.052 175.185 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.8 0 N-CA-C 112.233 -0.347 . . . . 63.43 112.233 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -80.86 -0.94 41.22 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.049 0.388 . . . . 74.15 112.049 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -62.9 -33.22 74.86 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.588 0.755 . . . . 74.14 110.197 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 70.2 mtm -74.03 106.7 5.83 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.338 0.589 . . . . 75.53 109.839 169.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.01 -25.63 29.78 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.867 -1.06 . . . . 74.41 109.283 177.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 t 50.99 37.3 17.34 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 126.565 1.946 . . . . 71.34 113.185 172.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -79.14 -12.88 59.99 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 114.544 -1.207 . . . . 74.42 111.606 -178.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.411 ' HB3' ' OE2' ' A' ' 13' ' ' GLU . 61.7 mtp180 60.68 77.18 0.34 Allowed 'General case' 0 C--O 1.218 -0.577 0 O-C-N 124.664 1.227 . . . . 74.14 109.277 -168.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.459 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 54.5 m-85 -73.88 157.27 36.6 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.043 -0.981 . . . . 74.43 109.299 176.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.503 HD11 ' CD1' ' A' ' 89' ' ' TRP . 50.1 tp -67.05 -25.9 66.48 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.354 0.525 . . . . 75.55 110.741 176.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.4 tp -62.5 -41.12 98.61 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.033 0.444 . . . . 71.05 110.929 170.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.13 -29.72 60.62 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.8 -0.636 . . . . 73.43 110.671 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 77.6 mm-40 -67.03 -49.02 66.58 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 123.032 0.533 . . . . 63.4 111.949 178.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.63 -22.75 65.32 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.655 0.613 . . . . 74.53 112.655 -173.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -70.22 -18.21 63.16 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.578 0.751 . . . . 72.4 112.158 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -128.32 11.16 6.35 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.332 0.494 . . . . 74.04 112.332 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.55 135.55 44.93 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.738 -0.21 . . . . 74.52 110.602 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -98.24 -27.07 14.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.614 0.721 . . . . 74.32 109.739 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 33.0 ttp -131.75 143.6 50.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.98 -1.009 . . . . 73.51 109.955 -170.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mt -134.95 155.2 51.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.443 -0.577 . . . . 72.24 109.443 176.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -133.05 152.05 51.99 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.252 -1.018 . . . . 74.14 108.252 171.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.641 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 7.1 tt -131.63 115.95 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-O 122.174 0.987 . . . . 75.33 111.578 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 60.63 23.0 12.8 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.39 1.476 . . . . 72.33 112.274 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.85 -11.53 66.16 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 116.486 -0.325 . . . . 74.02 113.248 -177.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 tt -89.15 122.33 32.34 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 107.938 -1.134 . . . . 73.43 107.938 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -74.72 124.06 26.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.805 -0.634 . . . . 70.02 112.157 -171.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.94 128.89 38.96 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.88 -0.6 . . . . 73.32 109.696 171.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.6 p-90 -88.67 -25.14 22.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.232 0.539 . . . . 73.21 110.484 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -142.63 138.36 30.65 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.879 -0.601 . . . . 75.01 110.031 -175.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -135.47 152.55 51.46 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.31 0.576 . . . . 75.34 110.547 168.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -111.35 140.98 45.48 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.938 -1.028 . . . . 73.41 109.404 -176.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 mt -113.81 135.69 53.68 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.91 -0.586 . . . . 74.11 109.846 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -78.36 89.02 4.36 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 108.698 -0.853 . . . . 65.15 108.698 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.77 -21.98 56.88 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 122.448 0.299 . . . . 74.11 111.53 -172.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -64.87 -46.77 80.43 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.277 0.631 . . . . 73.44 110.567 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 tp -80.51 -28.76 37.36 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.579 -0.737 . . . . 75.41 111.425 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.6 mt -77.1 -25.23 51.98 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.726 0.41 . . . . 74.22 112.016 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.27 -37.47 83.49 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 109.827 -0.434 . . . . 72.33 109.827 173.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -79.61 -25.53 41.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.846 -0.615 . . . . 74.35 112.072 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.18 -42.02 69.57 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.026 -0.534 . . . . 73.31 111.075 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.72 -29.19 40.59 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.969 -0.559 . . . . 74.22 110.336 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.0 tt -56.87 -46.73 81.64 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.012 0.925 . . . . 75.15 110.711 171.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.51 -41.15 69.57 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.31 -0.859 . . . . 71.33 110.966 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.93 77.07 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.654 0.613 . . . . 74.3 112.654 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.24 -18.06 61.85 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 122.725 0.41 . . . . 71.12 111.692 175.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.76 8.89 43.9 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 111.656 0.243 . . . . 74.25 111.656 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 63.77 34.78 11.72 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.067 1.347 . . . . 54.13 111.219 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -113.26 123.69 32.91 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.323 -0.853 . . . . 74.25 109.478 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -68.49 123.28 10.33 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 121.906 1.737 . . . . 71.34 111.796 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -94.84 132.44 39.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.326 -0.62 . . . . 74.45 109.326 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.21 121.55 13.98 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.995 -0.548 . . . . 74.32 110.656 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.9 t -139.42 145.4 38.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.274 -0.876 . . . . 74.23 110.059 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -102.37 12.98 35.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 73.33 110.917 174.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -79.41 170.65 16.28 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 108.187 -1.042 . . . . 72.43 108.187 172.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.0 p-90 -73.71 156.2 38.15 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.145 0.497 . . . . 72.53 109.671 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 p -140.68 -22.16 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 121.129 0.49 . . . . 74.44 111.733 172.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -133.87 126.25 30.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.106 -0.702 . . . . 74.51 109.106 -172.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 70' ' ' TRP . . . -130.54 106.49 8.55 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 120.548 0.214 . . . . 75.53 111.214 173.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -100.4 118.69 47.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-O 120.716 0.293 . . . . 74.02 110.894 -176.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -101.13 119.5 38.83 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.514 -0.551 . . . . 75.15 109.514 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.6 m -124.72 142.6 51.28 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.17 -0.923 . . . . 74.44 109.576 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.482 ' HA ' ' O ' ' A' ' 66' ' ' THR . 9.6 mp -95.99 117.44 30.67 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.119 0.485 . . . . 75.24 110.143 176.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.406 ' O ' ' HB ' ' A' ' 66' ' ' THR . 6.2 p-10 -106.65 99.86 9.41 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-O 122.332 1.063 . . . . 65.33 108.843 172.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.38 -107.0 2.77 Favored Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 110.466 -1.054 . . . . 74.41 110.466 -169.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -123.36 8.43 9.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.691 0.758 . . . . 74.03 109.147 170.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.482 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 11.5 m -86.18 127.1 34.67 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 114.696 -1.138 . . . . 61.31 110.783 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -92.78 99.83 12.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.351 0.596 . . . . 72.32 110.275 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -98.99 118.19 35.21 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.732 -1.122 . . . . 72.54 109.365 -175.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -116.74 140.75 49.06 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.138 -0.625 . . . . 74.43 111.422 179.28 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.412 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 19.6 m-90 -115.45 123.16 47.89 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.862 -0.792 . . . . 74.3 108.862 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -108.68 117.59 34.57 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.876 -0.416 . . . . 74.0 109.876 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -107.76 146.81 31.67 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.318 -0.855 . . . . 75.24 111.288 -174.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 m -72.36 158.97 34.79 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.266 0.979 . . . . 71.11 110.731 177.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -62.59 -44.73 95.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.698 -0.683 . . . . 74.4 111.556 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -64.25 -31.21 72.33 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.652 0.612 . . . . 74.14 112.652 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.04 -33.88 75.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.973 0.509 . . . . 64.34 111.884 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.0 t -76.7 -30.47 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.342 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.2 mmt -66.75 -37.02 83.82 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.499 0.555 . . . . 75.45 112.499 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -92.27 7.26 43.53 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.47 0.545 . . . . 74.02 112.47 -176.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 90' ' ' ARG . . . -59.13 124.55 20.32 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.531 0.567 . . . . 74.21 112.531 177.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -92.06 135.05 27.64 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 115.47 -0.786 . . . . 74.12 111.593 -174.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -70.48 120.72 7.34 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.249 1.966 . . . . 71.11 112.548 175.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -80.55 173.38 12.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.391 -0.822 . . . . 75.53 109.877 176.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.27 -12.23 60.24 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 121.021 0.439 . . . . 74.5 111.836 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.65 -22.54 62.49 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.789 0.836 . . . . 73.15 111.122 171.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.73 -16.46 14.74 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 114.602 0.601 . . . . 71.04 114.602 174.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -122.6 -6.66 8.63 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 117.715 0.758 . . . . 71.03 110.24 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.7 m -96.66 144.99 26.17 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.96 -0.563 . . . . 75.3 110.139 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.503 ' CD1' HD11 ' A' ' 10' ' ' LEU . 43.5 m95 -131.92 146.54 52.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.473 -0.785 . . . . 74.02 110.341 -174.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.462 ' O ' ' HA ' ' A' ' 80' ' ' ALA . 80.0 mtt180 -91.45 108.65 20.04 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.898 -0.408 . . . . 73.52 109.898 170.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.31 99.61 12.57 Favored 'General case' 0 N--CA 1.438 -1.062 0 N-CA-C 107.205 -1.406 . . . . 73.34 107.205 176.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.6 p -95.59 114.35 26.09 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.595 -1.184 . . . . 74.24 110.777 -170.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.1 p -118.56 -173.87 2.56 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.015 -0.993 . . . . 75.55 109.975 -176.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.04 -22.34 78.02 Favored Glycine 0 CA--C 1.523 0.563 0 CA-C-N 116.087 -0.506 . . . . 64.31 112.115 171.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -73.77 -38.84 64.55 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.125 0.57 . . . . 72.22 110.397 175.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.15 -112.09 0.51 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.04 -0.6 . . . . 72.43 112.521 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.12 138.29 18.33 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.044 -0.354 . . . . 70.54 110.044 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -131.27 130.89 43.4 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 123.734 0.814 . . . . 74.11 109.352 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.641 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 18.7 tt0 -85.62 102.1 13.27 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 120.694 -0.402 . . . . 72.31 111.558 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.8 mt -93.23 123.21 36.35 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 109.292 -0.633 . . . . 75.41 109.292 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -117.17 121.19 40.54 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.091 0.472 . . . . 73.24 110.117 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.0 p -82.92 127.52 33.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.011 -0.995 . . . . 72.14 110.934 -175.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 57.7 mt -136.2 170.23 16.35 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.485 -0.932 . . . . 75.31 108.485 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 81.14 163.13 29.96 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.954 -0.641 . . . . 63.03 113.385 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.53 25.94 1.31 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.074 0.464 . . . . 75.43 110.849 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.4 t -102.18 85.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.331 -0.618 . . . . 73.41 109.331 -176.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.2 m 59.45 -105.2 0.23 Allowed 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 113.987 -1.461 . . . . 72.22 111.395 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -158.79 -89.3 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.862 -0.421 . . . . 74.13 109.862 173.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.0 m -163.1 -154.68 0.3 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.962 0.905 . . . . 73.3 109.48 -174.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -162.04 160.17 32.23 Favored Glycine 0 N--CA 1.432 -1.633 0 N-CA-C 109.445 -1.462 . . . . 71.54 109.445 170.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -82.4 104.1 12.45 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.507 -0.923 . . . . 71.01 108.507 174.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -79.94 137.94 36.99 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.824 -0.625 . . . . 71.54 110.679 -171.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.242 0.698 0 CA-C-N 115.418 -0.81 . . . . 75.44 109.029 179.499 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.517 0 N-CA-C 111.342 -0.703 . . . . 63.2 111.342 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 t -165.48 141.83 5.42 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 123.99 0.464 . . . . 62.05 109.929 -176.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -94.58 7.81 44.41 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.205 0.526 . . . . 75.41 110.751 173.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 60.2 mtt -111.23 122.25 47.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.172 -0.677 . . . . 72.41 109.172 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.7 p -71.61 -50.93 26.23 Favored 'General case' 0 C--O 1.224 -0.253 0 O-C-N 123.453 0.471 . . . . 72.52 109.903 174.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 t -96.87 99.85 11.4 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 108.387 -0.968 . . . . 75.21 108.387 165.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -69.65 113.52 7.0 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 114.597 -1.183 . . . . 73.25 110.556 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -123.19 73.01 1.14 Allowed 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 108.895 -0.78 . . . . 75.31 108.895 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.522 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 79.0 m-85 -89.93 173.47 8.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.352 -1.294 . . . . 74.15 108.231 171.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.52 HD11 ' CD1' ' A' ' 89' ' ' TRP . 51.4 tp -61.0 -32.66 72.23 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.348 0.405 . . . . 75.02 111.061 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.6 tp -55.53 -47.75 75.79 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 124.381 1.051 . . . . 71.23 111.987 173.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -77.28 -24.1 51.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.938 -0.574 . . . . 61.51 110.955 -177.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 46.6 mm-40 -75.36 -37.57 60.56 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 115.733 -0.667 . . . . 74.11 112.555 -178.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.71 -24.75 61.85 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.916 0.388 . . . . 74.31 111.912 -178.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -80.71 -19.46 45.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.3 -0.864 . . . . 72.34 112.163 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.9 p -113.48 10.98 18.3 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.638 0.256 . . . . 74.4 111.679 -178.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.02 154.43 18.4 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.305 -0.407 . . . . 71.23 111.666 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -102.04 -34.29 9.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.111 -0.495 . . . . 65.21 109.85 174.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 46.2 mtm -131.69 163.63 27.71 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.803 -0.635 . . . . 52.35 109.545 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.36 129.95 45.44 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.512 -0.921 . . . . 75.15 108.512 172.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -117.69 130.34 56.28 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.548 -0.908 . . . . 70.14 108.548 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.544 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.3 tt -124.62 113.28 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 CA-C-O 121.937 0.875 . . . . 70.13 111.998 -172.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 t70 61.03 27.11 17.0 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 114.389 -1.278 . . . . 73.54 111.796 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.11 0.21 63.69 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.729 -0.669 . . . . 51.51 113.183 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.3 tp -111.64 115.69 29.55 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.751 -0.462 . . . . 73.31 109.751 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -68.11 116.84 9.19 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.025 -0.534 . . . . 75.52 110.967 -177.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.82 125.28 29.1 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 108.092 -1.077 . . . . 64.44 108.092 168.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -21.16 58.51 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 123.597 0.561 . . . . 72.5 111.755 -172.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -158.74 173.27 16.81 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.092 -0.707 . . . . 73.21 109.092 169.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -147.42 161.24 41.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.534 -0.757 . . . . 74.42 110.667 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' HB2' ' HB2' ' A' ' 58' ' ' ALA . 5.9 mm-40 -127.36 138.8 53.11 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 115.804 -0.635 . . . . 74.31 109.599 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.0 mt -118.81 136.88 53.76 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.057 -0.974 . . . . 71.42 109.478 -177.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.546 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 55.6 t30 -85.63 89.1 7.64 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.734 -0.469 . . . . 75.42 109.734 177.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -68.6 -30.12 68.79 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.723 -1.126 . . . . 75.32 112.541 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -57.58 -43.49 84.62 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 124.219 0.95 . . . . 73.13 111.302 173.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.4 tp -81.7 -23.86 36.55 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.063 -0.517 . . . . 75.52 110.985 -178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 38.5 mt -76.37 -27.06 56.25 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.246 -0.434 . . . . 64.3 111.337 177.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.19 -47.4 77.07 Favored 'General case' 0 C--O 1.221 -0.441 0 O-C-N 123.832 0.708 . . . . 63.1 109.756 172.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -69.66 -28.69 66.09 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 124.117 0.885 . . . . 75.24 111.538 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.45 -48.12 70.98 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.818 0.699 . . . . 53.23 111.802 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.21 -29.59 61.8 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.989 -0.551 . . . . 71.1 111.237 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 tt -60.9 -47.94 84.11 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.46 1.104 . . . . 75.43 110.548 174.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.8 -34.58 64.69 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.984 -0.553 . . . . 75.31 111.267 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.54 -33.41 75.84 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.863 0.363 . . . . 74.41 111.787 178.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -80.12 -5.0 55.2 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.873 -0.603 . . . . 74.5 112.265 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.28 9.99 35.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.635 -0.257 . . . . 74.32 110.695 171.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 t70 71.58 12.47 6.44 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 124.701 1.2 . . . . 63.35 111.388 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -101.67 122.45 47.62 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.624 -0.716 . . . . 75.4 110.164 -174.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -63.79 125.05 14.64 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.789 2.326 . . . . 71.42 112.529 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -98.9 126.46 44.58 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.66 -0.7 . . . . 74.13 109.675 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -142.67 119.48 11.2 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.283 -0.636 . . . . 75.31 109.283 173.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.1 t -128.31 140.25 51.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.737 -0.665 . . . . 64.3 109.754 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -94.63 17.22 13.75 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 120.843 0.354 . . . . 65.4 111.145 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -85.21 168.62 14.6 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 107.882 -1.155 . . . . 74.1 107.882 167.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -73.6 156.22 38.28 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.887 0.375 . . . . 71.13 110.74 -175.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.36 -27.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.359 -0.382 . . . . 74.41 111.304 171.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.73 131.01 51.44 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.569 0.7 . . . . 75.41 111.622 -171.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.402 ' HB2' ' HB2' ' A' ' 31' ' ' GLU . . . -131.54 102.74 6.05 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 114.443 -1.253 . . . . 55.04 109.657 169.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.422 HG21 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -102.92 137.06 32.51 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 107.546 -1.279 . . . . 75.03 107.546 176.457 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -134.4 148.47 50.66 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.772 -0.371 . . . . 73.42 110.536 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.5 t -145.3 121.56 10.88 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.217 -0.901 . . . . 74.35 109.44 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.7 mt -94.9 105.83 17.78 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.068 -1.086 . . . . 74.25 108.068 166.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.455 ' O ' HG23 ' A' ' 66' ' ' THR . 18.1 t70 -97.78 96.17 8.05 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 108.461 -0.94 . . . . 75.04 108.461 -178.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.74 -98.01 1.14 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.575 -1.01 . . . . 72.34 110.575 -169.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -129.83 4.34 4.96 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.251 0.22 . . . . 73.42 111.067 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 63' ' ' ASP . 11.7 t -90.83 149.41 21.97 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 110.22 -0.289 . . . . 74.42 110.22 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.82 131.82 54.71 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.503 0.668 . . . . 74.34 111.177 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -131.65 117.12 18.25 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.925 -1.034 . . . . 73.45 109.335 175.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -127.56 133.56 49.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.315 -0.624 . . . . 74.14 109.315 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.422 ' HB2' HG21 ' A' ' 59' ' ' VAL . 8.4 m-90 -117.12 123.32 46.48 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 108.612 -0.885 . . . . 73.42 108.612 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -109.65 116.85 32.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.608 -0.724 . . . . 75.43 109.845 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -114.63 142.98 45.75 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.994 -0.548 . . . . 75.51 110.452 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.3 p -82.06 163.69 21.89 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 124.191 0.932 . . . . 74.13 109.942 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -66.49 -32.28 73.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.923 -0.58 . . . . 75.22 110.528 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -67.33 -35.13 78.78 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 115.042 -0.981 . . . . 74.45 110.735 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.73 63.75 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 123.687 0.617 . . . . 72.34 112.119 177.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.5 t -70.76 -26.19 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.254 0.622 . . . . 74.05 110.942 173.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.4 mmt -74.21 -26.34 60.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.088 -0.506 . . . . 72.33 111.599 171.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.54 11.01 32.42 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.167 0.587 . . . . 74.14 111.631 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.35 117.62 17.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.869 -0.605 . . . . 75.13 110.858 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -80.95 128.33 71.64 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 114.479 -1.237 . . . . 72.42 110.163 -175.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -66.37 121.83 9.19 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 121.661 1.574 . . . . 74.14 111.692 173.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -86.78 168.16 13.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.012 -0.54 . . . . 73.53 110.123 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.53 -16.08 62.32 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.485 0.55 . . . . 65.52 112.485 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.66 -23.82 62.58 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.466 0.706 . . . . 65.32 111.279 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.91 -14.64 25.21 Favored Glycine 0 C--N 1.34 0.804 0 N-CA-C 114.523 0.569 . . . . 74.12 114.523 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -117.64 -20.28 9.02 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 117.328 0.564 . . . . 75.51 110.714 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.4 m -90.31 146.88 23.86 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.635 -0.711 . . . . 65.55 110.332 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.52 ' CD1' HD11 ' A' ' 10' ' ' LEU . 67.3 m95 -127.27 151.23 49.01 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.571 -0.74 . . . . 74.43 109.63 178.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -104.42 100.37 10.07 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.201 -0.666 . . . . 74.0 109.201 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.52 98.83 11.91 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.53 -0.915 . . . . 72.24 108.53 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.1 p -100.75 119.95 39.37 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.235 -0.893 . . . . 75.25 110.131 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.1 p -116.42 -179.03 3.56 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.925 -1.034 . . . . 71.11 108.739 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -76.12 -24.65 68.32 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 120.901 -0.666 . . . . 75.3 111.484 171.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -75.58 -48.87 20.47 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.338 0.655 . . . . 55.13 110.096 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -164.14 -152.72 7.07 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.316 -0.469 . . . . 75.01 113.275 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -148.18 108.95 4.2 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.683 0.793 . . . . 74.1 109.566 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -127.17 129.37 47.74 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 123.597 0.759 . . . . 75.55 110.278 -165.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.544 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 22.6 tt0 -89.74 105.03 17.53 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.806 -0.358 . . . . 73.31 111.222 -174.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 38.0 mt -91.07 111.56 23.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.895 0.378 . . . . 70.11 110.233 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -115.63 122.57 46.0 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.808 -0.812 . . . . 72.44 108.808 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 95.3 m -86.22 119.16 26.2 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.663 -0.699 . . . . 70.24 110.978 -178.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.1 mt -102.6 91.8 4.37 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.034 -0.53 . . . . 74.43 110.169 -175.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -94.75 79.99 0.9 Allowed Glycine 0 N--CA 1.441 -1.003 0 N-CA-C 110.333 -1.107 . . . . 64.3 110.333 172.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.7 2.82 9.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.261 0.553 . . . . 72.32 111.691 -173.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.5 t -108.81 88.64 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 N-CA-C 107.083 -1.451 . . . . 75.12 107.083 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.0 t 63.53 -165.46 0.24 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.575 -1.193 . . . . 61.13 108.686 -171.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.94 64.63 1.29 Allowed 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 108.834 -0.802 . . . . 75.21 108.834 168.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.6 m -77.07 -83.18 0.08 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.383 -1.28 . . . . 71.23 110.479 -177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.27 -85.44 0.6 Allowed Glycine 0 C--N 1.338 0.666 0 O-C-N 123.526 0.516 . . . . 73.33 113.042 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -105.77 147.85 28.14 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.748 -0.464 . . . . 65.43 109.748 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -86.08 -38.8 17.43 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.969 -0.559 . . . . 71.35 110.365 176.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--O 1.24 0.566 0 CA-C-O 118.403 -0.808 . . . . 73.32 110.405 -179.821 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.941 0 N-CA-C 111.975 -0.45 . . . . 60.24 111.975 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 t -115.96 109.81 18.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.82 0.343 . . . . 74.35 110.214 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -123.21 36.7 4.58 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.994 -0.743 . . . . 65.51 108.994 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.1 mtt -79.46 96.99 6.22 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.987 0.899 . . . . 74.14 110.464 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.8 p -89.72 -33.93 16.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.309 -1.314 . . . . 74.52 112.187 -172.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.0 t -78.1 17.47 0.61 Allowed 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 115.115 -0.948 . . . . 74.21 112.87 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -77.78 -5.31 50.32 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.559 -0.746 . . . . 73.43 109.968 164.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? 60.44 77.83 0.31 Allowed 'General case' 0 C--N 1.353 0.734 0 C-N-CA 125.989 1.716 . . . . 74.44 111.82 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.538 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 61.7 m-85 -93.79 149.26 21.38 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.589 -1.187 . . . . 61.23 108.352 173.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.609 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 33.8 tp -64.07 -31.31 72.46 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 123.784 0.677 . . . . 73.1 110.723 176.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.08 -37.85 88.95 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.0 0.37 . . . . 74.34 112.0 173.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.62 -35.19 79.59 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.837 0.71 . . . . 71.31 110.609 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 22.2 mm-40 -65.88 -41.25 91.81 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 124.185 0.928 . . . . 73.35 111.421 178.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 50.3 mt -66.37 -42.19 88.35 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.545 1.153 . . . . 72.35 111.062 -178.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.18 -29.19 70.32 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.81 -0.632 . . . . 74.22 112.171 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.3 p -104.35 14.09 30.84 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.617 0.599 . . . . 72.24 112.617 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.46 128.16 54.55 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 120.826 0.346 . . . . 74.01 110.886 178.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -84.69 -38.17 20.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.87 0.843 . . . . 73.54 108.901 174.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.1 ttp -124.79 147.83 48.49 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 113.839 -1.528 . . . . 75.31 108.793 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.3 tp -139.04 129.58 25.84 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.217 -0.66 . . . . 72.04 109.217 -177.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -104.42 152.46 22.29 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.921 -0.311 . . . . 75.35 110.387 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.536 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 14.6 tt -136.46 116.89 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 CA-C-O 121.634 0.73 . . . . 72.24 111.588 174.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 t70 63.84 20.85 12.41 Favored 'General case' 0 CA--C 1.557 1.228 0 CA-C-N 114.425 -1.261 . . . . 71.11 112.241 174.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.16 0.39 55.96 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 120.986 -0.626 . . . . 72.4 113.389 -175.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.2 tp -115.35 116.66 28.65 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.97 0.508 . . . . 75.41 110.142 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -70.5 120.51 16.25 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 112.622 0.601 . . . . 74.35 112.622 -176.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.03 136.9 32.77 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.49 -0.323 . . . . 75.52 110.416 178.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.2 p-90 -83.61 -27.19 29.36 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.089 -0.505 . . . . 74.55 110.598 -174.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -146.99 149.06 32.39 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.291 -0.633 . . . . 73.14 109.291 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -139.09 150.3 45.54 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 121.326 0.584 . . . . 71.12 109.846 169.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -116.19 136.41 53.04 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.08 -0.964 . . . . 75.1 110.894 -176.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -111.36 136.23 50.78 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.215 -0.902 . . . . 75.43 109.775 176.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -77.81 102.46 7.22 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.599 -0.889 . . . . 74.14 108.599 175.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.97 -36.93 75.59 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 124.334 1.021 . . . . 73.12 111.833 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -62.46 -40.73 97.57 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 123.98 0.8 . . . . 64.25 111.661 176.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.7 tp -79.7 -27.39 40.7 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.487 -0.324 . . . . 72.22 111.239 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.2 mt -81.83 -17.56 47.0 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 111.954 0.353 . . . . 72.1 111.954 176.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -68.05 -42.71 80.09 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 109.134 -0.691 . . . . 61.32 109.134 170.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -75.86 -27.39 57.78 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 114.851 -1.068 . . . . 72.3 111.137 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.17 -44.5 79.56 Favored 'General case' 0 C--O 1.222 -0.351 0 O-C-N 123.514 0.509 . . . . 71.21 111.375 175.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.52 -36.16 73.59 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.388 -0.823 . . . . 72.53 110.577 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.8 -49.51 76.04 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 124.379 1.05 . . . . 73.21 110.364 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.3 -36.0 76.58 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.856 0.723 . . . . 74.53 111.496 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.18 79.66 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 123.337 0.398 . . . . 71.24 111.527 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.06 -26.9 62.36 Favored 'General case' 0 C--O 1.225 -0.194 0 N-CA-C 112.397 0.517 . . . . 74.52 112.397 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.77 5.45 32.36 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.593 0.558 . . . . 73.34 111.334 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 t70 65.73 31.72 9.46 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.998 1.319 . . . . 74.41 110.822 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -118.43 114.67 36.22 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 114.646 -1.161 . . . . 73.01 109.273 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.84 124.71 16.92 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.731 2.287 . . . . 75.02 112.342 169.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.412 ' HD2' ' CZ ' ' A' ' 74' ' ' TYR . 47.6 t80 -93.06 137.96 31.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.31 -0.859 . . . . 71.15 110.173 -173.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.53 132.01 18.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.067 -0.515 . . . . 64.13 109.795 175.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -144.8 154.83 43.1 Favored 'General case' 0 CA--C 1.518 -0.25 0 C-N-CA 123.028 0.531 . . . . 73.4 109.669 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -98.61 3.43 47.93 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.212 0.449 . . . . 74.4 112.212 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.53 163.75 27.59 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.348 -0.612 . . . . 75.54 109.348 173.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 8.7 p-90 -68.49 149.58 49.1 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 109.875 -0.417 . . . . 72.43 109.875 -178.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 p -135.52 -19.68 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.405 -0.518 . . . . 73.02 111.07 172.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.32 115.57 8.45 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.194 0.521 . . . . 73.34 110.513 -171.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.86 109.16 13.27 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.461 -0.79 . . . . 74.02 109.888 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.3 m -99.87 135.4 35.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.079 0.466 . . . . 74.1 110.441 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -110.4 129.09 55.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.037 -0.529 . . . . 74.44 109.794 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.406 ' HB3' ' CZ3' ' A' ' 70' ' ' TRP . 38.3 t -135.92 132.87 37.04 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.748 -0.834 . . . . 73.22 108.748 174.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.8 mt -95.37 106.52 18.58 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.377 -0.828 . . . . 74.3 109.022 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -96.13 117.05 29.95 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.765 -0.828 . . . . 71.33 108.765 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.16 -111.54 3.46 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 109.501 -1.44 . . . . 74.22 109.501 -166.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -132.04 21.38 4.51 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.425 0.29 . . . . 72.23 110.798 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 t -97.0 160.77 14.15 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.654 0.264 . . . . 74.21 110.932 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -101.08 120.83 40.79 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.715 -0.476 . . . . 73.43 109.715 175.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.4 ttm105 -141.82 137.14 31.27 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.794 -0.447 . . . . 74.34 109.794 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.17 155.4 38.56 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.028 -0.533 . . . . 72.43 110.681 178.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.406 ' CZ3' ' HB3' ' A' ' 61' ' ' SER . 6.8 m-90 -124.94 122.78 38.34 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.979 -1.489 . . . . 74.22 106.979 174.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -114.13 126.3 54.93 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.197 0.523 . . . . 74.54 109.639 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -121.4 139.17 53.79 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.36 -0.836 . . . . 70.21 110.017 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 64.5 p -72.75 163.11 28.61 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.309 -0.859 . . . . 73.21 110.198 174.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.412 ' CZ ' ' HD2' ' A' ' 50' ' ' PHE . 40.2 t80 -60.08 -34.5 73.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.679 -1.146 . . . . 64.33 110.334 175.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.448 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -74.64 -37.5 62.75 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 114.521 -1.218 . . . . 73.32 111.69 -178.336 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.6 -35.46 80.24 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 123.589 0.556 . . . . 71.11 111.79 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.5 t -70.36 -30.13 41.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 123.706 0.802 . . . . 72.31 111.285 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.4 mmt -76.26 -25.87 55.4 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.803 0.668 . . . . 61.41 112.803 174.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 75' ' ' ASN . 52.4 mt-10 -84.1 -6.57 59.43 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 123.49 0.494 . . . . 73.22 112.264 -179.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 90' ' ' ARG . . . -64.59 120.31 12.12 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.433 1.083 . . . . 73.41 112.322 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -82.91 133.42 48.61 Favored Pre-proline 0 N--CA 1.444 -0.77 0 CA-C-N 114.189 -1.369 . . . . 73.04 110.116 -174.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -64.38 129.39 23.84 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 121.978 1.785 . . . . 73.24 111.666 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -97.42 154.83 17.22 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.801 -0.36 . . . . 64.43 110.106 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.56 -6.15 44.76 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.862 -0.608 . . . . 74.24 111.677 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -67.67 -22.69 65.28 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 114.988 -1.006 . . . . 74.34 111.061 172.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.21 -15.58 57.91 Favored Glycine 0 C--N 1.343 0.92 0 N-CA-C 114.939 0.736 . . . . 61.4 114.939 170.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -136.39 -9.73 1.94 Allowed 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.409 0.605 . . . . 74.14 111.452 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.1 m -101.8 154.57 18.79 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.075 0.464 . . . . 70.4 110.71 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.461 ' CD1' HD11 ' A' ' 10' ' ' LEU . 77.2 m95 -133.59 142.23 48.04 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.018 -0.992 . . . . 74.51 110.188 -176.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' A' ' 80' ' ' ALA . 7.8 tmm_? -89.66 98.52 11.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.41 -0.814 . . . . 75.41 109.981 -178.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.51 130.19 39.46 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.31 -0.996 . . . . 73.14 108.31 176.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.6 m -133.66 133.11 41.51 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.895 -0.779 . . . . 75.22 108.895 171.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.1 p -127.07 -173.28 2.85 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 124.215 0.947 . . . . 75.22 110.237 -175.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.17 -12.51 84.27 Favored Glycine 0 C--N 1.342 0.883 0 O-C-N 123.738 0.649 . . . . 54.02 112.854 170.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -87.48 -48.97 7.51 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.691 -0.485 . . . . 74.12 109.691 175.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 171.27 -164.31 37.27 Favored Glycine 0 N--CA 1.446 -0.667 0 O-C-N 123.588 0.555 . . . . 61.14 112.589 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.53 128.99 55.59 Favored 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 122.981 0.512 . . . . 54.05 110.537 -172.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -130.69 157.95 41.4 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.364 1.066 . . . . 74.31 109.733 -173.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.536 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 45.7 tt0 -121.95 107.56 12.4 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 121.828 -0.545 . . . . 74.42 110.903 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.4 mt -92.23 113.18 25.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.186 0.517 . . . . 72.53 110.633 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -115.79 123.9 49.39 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.57 -0.741 . . . . 74.13 110.419 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.3 p -84.71 133.6 34.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.541 -0.754 . . . . 73.4 111.007 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 98.6 mt -130.53 118.39 21.01 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.024 -0.535 . . . . 75.34 109.81 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -122.78 86.15 0.38 Allowed Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 120.602 -0.809 . . . . 74.22 112.181 -178.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.03 18.64 0.87 Allowed 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.843 0.378 . . . . 74.25 111.515 177.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.9 t -120.07 90.31 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 110.163 -0.31 . . . . 63.22 110.163 -175.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.9 t 79.04 -49.8 0.43 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 125.272 1.429 . . . . 63.23 113.508 174.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 74.75 -53.72 0.67 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 126.441 1.897 . . . . 71.12 111.734 -173.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.8 m -80.95 97.71 7.57 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 123.098 0.559 . . . . 74.24 109.999 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 173.23 88.74 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.792 0 N-CA-C 111.984 -0.446 . . . . 73.55 111.984 -178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -85.29 -50.1 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 122.653 0.381 . . . . 74.11 110.259 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -143.29 -52.66 0.36 Allowed 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.563 -0.744 . . . . 71.13 110.041 -176.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--O 1.241 0.634 0 CA-C-O 118.523 -0.751 . . . . 65.03 110.388 179.612 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.884 -0.486 . . . . 72.45 111.884 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -87.7 87.13 7.29 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.437 0.637 . . . . 72.13 110.126 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -99.33 85.26 3.15 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.288 -1.004 . . . . 74.14 108.288 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.9 ptt? -125.63 123.05 38.14 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.917 -1.038 . . . . 71.13 111.666 -170.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.35 -25.24 29.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.894 -1.048 . . . . 74.1 111.046 173.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 t -67.55 109.1 3.1 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.686 1.232 . . . . 73.33 110.847 168.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.54 11.48 4.87 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.64 -1.164 . . . . 72.35 109.671 171.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 57.93 71.01 0.6 Allowed 'General case' 0 C--N 1.346 0.45 0 C-N-CA 123.895 0.878 . . . . 75.44 110.263 -167.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -86.78 176.61 7.64 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 114.768 -1.106 . . . . 74.32 108.473 171.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.93 -29.19 69.0 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.758 0.313 . . . . 71.1 110.569 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.1 tp -70.49 -31.21 68.22 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.492 -0.777 . . . . 74.13 111.49 174.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -80.12 -26.07 39.63 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.276 0.56 . . . . 64.45 110.067 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 32.4 mm-40 -84.6 -24.98 28.93 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 113.572 0.953 . . . . 75.42 113.572 -176.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pp -78.04 -21.83 50.09 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.592 0.633 . . . . 64.22 111.966 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -75.77 -26.45 57.38 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.804 -0.634 . . . . 74.54 111.091 172.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 p -102.86 27.03 7.39 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 116.035 -0.529 . . . . 74.25 110.737 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.48 147.83 50.7 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-O 121.198 0.523 . . . . 71.04 111.873 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -100.56 -51.52 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.844 -1.071 . . . . 75.44 109.382 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.458 ' HG3' ' HB2' ' A' ' 103' ' ' LEU . 11.9 ptt? -123.14 152.4 41.17 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.441 -1.254 . . . . 74.05 109.124 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.428 ' HG ' ' CD2' ' A' ' 30' ' ' PHE . 20.0 mt -110.3 170.36 8.13 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 109.252 -0.647 . . . . 73.45 109.252 175.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 36.7 tt0 -138.43 137.61 37.38 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.557 -0.905 . . . . 72.02 108.557 174.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.2 mt -120.77 102.04 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.626 -0.509 . . . . 75.21 109.626 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.6 t70 65.43 30.1 11.02 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.102 1.361 . . . . 65.3 111.499 173.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.65 -22.19 40.76 Favored Glycine 0 C--O 1.23 -0.119 0 C-N-CA 120.929 -0.653 . . . . 71.13 112.94 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tt -85.03 109.73 18.42 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.002 -1.11 . . . . 73.33 108.002 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -68.06 121.56 16.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.029 -0.532 . . . . 75.03 110.462 -177.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.39 137.83 38.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.186 -0.916 . . . . 72.24 109.518 176.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -82.07 -33.94 29.64 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 120.784 -0.366 . . . . 74.52 111.081 -174.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -155.54 137.78 14.78 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.912 -0.403 . . . . 74.51 109.912 -172.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.428 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 31.9 p90 -125.22 161.84 26.01 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.451 -0.795 . . . . 72.43 109.852 172.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 47.8 mt-10 -125.63 140.38 52.78 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.728 -0.669 . . . . 72.02 109.798 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.7 mt -114.88 134.04 55.48 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.804 -0.443 . . . . 72.23 109.804 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.491 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.0 t-20 -78.76 91.93 4.76 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.561 -0.903 . . . . 73.14 108.561 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -70.72 -27.31 63.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.303 -0.862 . . . . 63.32 111.615 -175.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -64.17 -47.4 79.97 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.918 0.887 . . . . 71.03 111.625 173.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.7 tp -72.79 -27.23 61.87 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 122.399 0.28 . . . . 73.52 110.894 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 54.8 mt -80.1 -20.59 44.73 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 112.361 0.504 . . . . 73.14 112.361 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -68.51 -39.69 81.12 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 123.629 0.581 . . . . 74.25 109.767 171.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -76.74 -28.54 55.8 Favored 'General case' 0 C--O 1.224 -0.282 0 O-C-N 124.371 1.044 . . . . 63.12 111.079 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.7 -33.64 66.6 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-N 115.744 -0.662 . . . . 71.32 110.901 177.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -76.94 -36.62 56.42 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.427 -0.806 . . . . 60.23 110.641 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.81 -47.17 87.55 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.794 1.238 . . . . 73.0 110.255 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.51 80.65 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 124.026 0.829 . . . . 74.21 111.507 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.52 94.24 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.338 0.399 . . . . 74.34 111.703 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -74.25 -21.95 59.55 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.962 -0.563 . . . . 75.43 112.152 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.67 0.81 55.17 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 122.917 0.487 . . . . 75.42 111.729 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.1 t70 67.52 28.83 7.47 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.617 1.567 . . . . 73.53 111.894 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -113.04 124.76 30.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.056 -0.975 . . . . 74.14 109.52 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -58.76 130.31 36.37 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.585 2.19 . . . . 55.13 111.64 171.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -98.95 127.58 44.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.257 0.551 . . . . 73.42 110.387 -176.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -133.47 127.52 33.45 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.808 -0.812 . . . . 70.22 108.808 174.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.2 t -149.14 134.9 18.79 Favored 'General case' 0 C--O 1.222 -0.38 0 O-C-N 123.396 0.435 . . . . 74.22 110.324 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -91.47 14.27 15.27 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.446 0.535 . . . . 74.43 112.446 176.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -78.05 157.07 29.71 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 108.34 -0.985 . . . . 62.45 108.34 169.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 10.0 p-90 -64.67 149.46 49.01 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.691 0.619 . . . . 74.1 110.506 -177.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.03 -19.82 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.259 0.552 . . . . 71.55 110.501 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.434 ' HA ' ' O ' ' A' ' 31' ' ' GLU . 60.2 tp -148.7 111.45 4.8 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-O 121.409 0.623 . . . . 75.43 111.27 -169.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.37 103.69 13.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.581 -0.736 . . . . 64.24 109.208 175.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 t -100.08 124.48 53.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.48 -0.782 . . . . 74.32 108.938 -173.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -121.64 141.71 50.85 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.457 0.646 . . . . 54.24 111.123 -177.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.3 m -134.86 153.79 51.91 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.541 -1.209 . . . . 74.03 109.602 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.429 ' HA ' ' O ' ' A' ' 66' ' ' THR . 6.4 mp -123.38 107.84 12.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.705 -0.225 . . . . 75.45 111.134 176.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -97.71 115.96 28.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.358 -0.979 . . . . 73.2 108.358 171.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.03 -95.83 1.42 Allowed Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.381 -1.088 . . . . 74.02 110.381 -167.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -151.24 27.37 0.68 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.662 0.785 . . . . 73.53 111.07 171.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 9.0 t -97.67 146.72 25.05 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.128 -0.629 . . . . 74.03 110.193 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -93.91 100.05 12.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.048 0.451 . . . . 72.51 110.084 -176.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -98.95 115.34 28.67 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.867 -0.606 . . . . 74.14 110.449 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -122.84 130.76 53.27 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.098 -0.501 . . . . 74.24 110.21 -175.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -121.44 121.94 38.68 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.565 -0.902 . . . . 75.12 108.565 175.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -102.52 119.56 39.04 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.529 -0.545 . . . . 75.25 109.529 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -104.81 136.76 43.71 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.051 -0.977 . . . . 75.14 108.575 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.457 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 77.7 p -80.05 166.58 21.4 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.808 -0.633 . . . . 74.12 110.3 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -61.64 -37.28 83.42 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 115.406 -0.815 . . . . 75.5 109.768 175.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -68.19 -36.2 79.21 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 124.554 1.159 . . . . 72.44 111.279 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.87 -40.53 79.25 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.608 0.568 . . . . 73.14 111.545 176.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 37.5 t -66.23 -30.72 50.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 124.193 0.997 . . . . 75.34 112.023 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.4 mmt -67.22 -51.67 50.41 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.398 -0.364 . . . . 73.04 111.675 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -80.65 -1.93 44.43 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.695 0.628 . . . . 72.34 112.695 -176.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.99 126.8 29.16 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.56 0.695 . . . . 65.35 110.719 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -83.12 129.77 59.78 Favored Pre-proline 0 N--CA 1.44 -0.973 0 CA-C-N 113.52 -1.673 . . . . 73.23 111.143 -167.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -69.46 122.83 9.59 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.792 1.661 . . . . 71.44 111.194 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -87.49 166.05 15.07 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.879 -0.6 . . . . 75.31 109.632 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.94 -4.66 39.41 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.94 -0.573 . . . . 63.05 112.313 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.95 -24.77 59.69 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.565 0.746 . . . . 74.34 110.929 172.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.93 -14.49 37.5 Favored Glycine 0 C--N 1.34 0.76 0 N-CA-C 115.392 0.917 . . . . 55.41 115.392 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -125.39 -20.73 4.71 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 117.465 0.633 . . . . 71.42 110.802 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.6 m -89.79 146.79 24.22 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.949 -0.569 . . . . 70.53 110.797 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -128.4 158.98 36.79 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 114.622 -1.172 . . . . 74.23 109.824 -175.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -120.06 103.17 9.06 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 121.282 0.563 . . . . 73.43 110.565 -175.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.02 135.8 33.5 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.87 -1.059 . . . . 75.03 108.415 172.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.9 t -125.94 130.15 50.69 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.453 -0.943 . . . . 71.11 108.453 172.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 76.9 p -129.18 -174.73 3.35 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.748 -0.66 . . . . 71.24 109.331 -175.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.47 -20.21 78.77 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.079 -0.581 . . . . 71.33 112.535 174.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.01 -45.76 19.55 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 122.845 0.458 . . . . 75.52 109.786 177.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.17 -117.42 0.63 Allowed Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.974 -0.632 . . . . 73.42 112.725 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -142.23 151.56 42.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 122.928 0.491 . . . . 71.22 109.739 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -139.91 121.31 15.03 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 109.263 -0.643 . . . . 72.41 109.263 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -90.37 108.86 20.04 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 119.968 -0.693 . . . . 73.42 109.457 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 10.3 mt -95.27 109.03 21.21 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 120.614 0.245 . . . . 73.15 111.408 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -104.95 128.83 53.38 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.259 -0.576 . . . . 74.52 110.227 174.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 63.9 m -85.59 132.96 34.08 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.953 -1.021 . . . . 72.1 110.953 -178.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.458 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 87.9 mt -138.08 133.87 34.0 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.431 -0.804 . . . . 64.22 110.542 -168.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 74.12 -166.03 54.75 Favored Glycine 0 N--CA 1.47 0.967 0 CA-C-O 119.32 -0.711 . . . . 74.13 111.9 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -160.02 70.89 0.45 Allowed 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 117.546 0.673 . . . . 73.42 111.68 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 44.5 t -136.12 99.44 2.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 108.365 -0.976 . . . . 71.12 108.365 175.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.8 t -128.09 -162.58 1.19 Allowed 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 108.884 -0.784 . . . . 75.04 108.884 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.78 113.04 5.21 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.009 0.524 . . . . 74.53 112.126 -175.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.3 m -71.74 -22.11 61.66 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.941 -0.572 . . . . 63.14 112.06 -176.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -140.81 147.56 19.2 Favored Glycine 0 N--CA 1.435 -1.391 0 N-CA-C 109.441 -1.464 . . . . 71.44 109.441 169.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -75.52 111.42 10.8 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.248 -0.649 . . . . 75.24 109.248 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 22.7 t70 75.29 3.0 3.99 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 125.997 1.719 . . . . 64.02 111.672 -176.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.242 0.702 0 O-C-N 121.394 -0.816 . . . . 65.32 109.867 -178.398 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.474 0 N-CA-C 111.986 -0.445 . . . . 73.43 111.986 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m -119.88 66.37 0.81 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.483 0.659 . . . . 75.42 109.958 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -94.79 -34.22 12.58 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.921 -0.581 . . . . 74.14 110.229 174.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 69.9 mtm -73.08 120.06 18.18 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 107.928 -1.138 . . . . 65.04 107.928 170.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.77 -49.26 14.72 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-N 115.459 -0.791 . . . . 73.44 109.249 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.96 24.36 13.49 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.129 1.372 . . . . 70.04 113.092 170.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 56.67 46.17 20.69 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.335 1.054 . . . . 72.23 111.709 -173.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -96.41 66.59 2.41 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 107.225 -1.398 . . . . 63.43 107.225 173.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -74.22 172.9 10.96 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.372 -1.285 . . . . 73.31 109.019 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.43 HD11 ' CD1' ' A' ' 89' ' ' TRP . 54.5 tp -62.68 -31.64 72.57 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.973 -0.291 . . . . 74.4 110.698 174.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.9 tp -61.11 -41.29 96.43 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 124.098 0.874 . . . . 73.25 112.26 173.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -80.06 -25.76 39.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.77 0.319 . . . . 74.11 110.903 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -80.82 -27.33 36.58 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 113.529 0.937 . . . . 74.33 113.529 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -75.34 -21.32 58.47 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.532 0.606 . . . . 72.02 111.472 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -76.77 -33.22 58.07 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.7 -0.682 . . . . 71.2 110.963 175.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 p -98.12 -5.89 32.72 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.929 0.714 . . . . 61.43 112.929 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.77 136.92 32.78 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 120.782 0.325 . . . . 71.13 110.798 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.84 -34.44 11.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.42 -0.809 . . . . 72.42 110.176 175.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 19.1 ttt -118.16 141.39 48.54 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.585 -0.734 . . . . 72.54 109.268 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 tp -132.93 125.42 29.79 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.985 -0.746 . . . . 75.32 108.985 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -115.03 148.52 38.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.117 -0.492 . . . . 74.32 110.624 -175.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.531 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 52.5 mt -123.52 96.55 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 121.018 0.437 . . . . 72.53 110.18 173.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.2 t70 50.75 63.3 2.28 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 113.931 -1.486 . . . . 74.12 113.186 173.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.7 0.68 69.05 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 115.331 -0.849 . . . . 73.22 114.218 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.1 tp -120.68 108.24 13.76 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 108.568 -0.901 . . . . 63.33 108.568 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -70.74 132.39 45.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.345 -0.389 . . . . 73.25 110.528 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.51 125.14 28.87 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.659 -1.237 . . . . 75.02 107.659 171.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -75.09 -27.62 59.97 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.743 0.306 . . . . 74.22 110.646 -172.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -150.31 165.04 34.24 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.421 -0.955 . . . . 72.55 108.421 171.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -146.0 167.48 23.23 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.031 0.443 . . . . 74.53 111.164 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -137.52 128.33 27.14 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.788 -0.642 . . . . 73.43 109.631 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.5 mt -102.82 133.2 48.28 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 107.783 -1.191 . . . . 74.21 107.783 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.491 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 42.4 t-20 -75.21 93.31 2.81 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 109.329 -0.619 . . . . 73.13 109.329 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.94 -35.95 82.82 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.088 0.955 . . . . 73.13 112.413 -174.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -64.09 -43.43 95.42 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 124.164 0.915 . . . . 73.12 111.8 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.8 tp -79.2 -25.48 42.72 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.587 -0.278 . . . . 71.2 111.335 -178.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 18.1 mt -82.67 -18.05 42.38 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 111.847 0.314 . . . . 73.3 111.847 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 19.2 t70 -68.85 -42.32 77.24 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 109.339 -0.615 . . . . 64.03 109.339 169.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -75.3 -30.98 60.54 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.812 0.695 . . . . 74.31 111.529 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.99 84.78 Favored 'General case' 0 CA--C 1.519 -0.212 0 O-C-N 123.695 0.622 . . . . 72.51 111.469 177.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.411 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 9.4 t70 -79.16 -31.91 44.1 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.332 -0.849 . . . . 74.44 110.353 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 38' ' ' ASP . 6.1 tt -61.95 -46.81 87.66 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.392 1.077 . . . . 72.32 110.664 177.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.55 79.1 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.407 -0.815 . . . . 74.51 111.007 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.93 -34.0 77.12 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.481 0.488 . . . . 64.43 112.139 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 41' ' ' ASP . 13.6 mm-40 -75.65 -22.15 57.03 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.509 -0.314 . . . . 74.21 111.363 175.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.25 6.81 35.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 122.741 0.417 . . . . 74.42 111.845 174.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.0 t70 68.36 28.25 6.24 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 125.492 1.517 . . . . 72.1 111.326 177.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -115.47 137.12 22.92 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.51 -0.768 . . . . 72.2 109.837 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -68.41 133.28 27.72 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.132 1.888 . . . . 74.23 112.111 171.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -108.35 136.06 48.61 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.68 -0.489 . . . . 73.01 109.68 177.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -143.36 142.78 31.4 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.25 -0.648 . . . . 72.15 109.25 172.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.2 t -153.78 128.69 9.52 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.652 -0.87 . . . . 61.1 108.652 -174.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.77 16.39 14.18 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 116.157 -0.474 . . . . 64.11 111.543 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -83.12 168.58 16.72 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.25 -1.019 . . . . 74.23 108.25 169.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -69.89 147.61 50.06 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.012 0.434 . . . . 74.54 110.42 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.0 p -126.22 -26.75 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-O 121.239 0.542 . . . . 73.12 110.166 174.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 0.7 OUTLIER -130.15 129.82 43.97 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.993 -0.548 . . . . 73.33 110.877 -176.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.73 97.78 5.29 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.271 -1.011 . . . . 75.21 108.271 168.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -101.93 121.99 53.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 113.981 -1.463 . . . . 73.34 108.963 -172.689 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -111.32 134.8 52.64 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 120.369 -0.532 . . . . 74.34 109.9 -177.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.9 t -133.0 159.27 40.5 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.917 -0.771 . . . . 72.43 108.917 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.1 mt -105.63 106.69 17.31 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.659 -0.867 . . . . 74.2 108.659 171.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.454 ' O ' HG23 ' A' ' 66' ' ' THR . 36.9 t70 -98.77 101.64 13.11 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.323 -0.621 . . . . 72.2 109.323 -177.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.72 -98.03 1.39 Allowed Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 108.927 -1.669 . . . . 71.4 108.927 -164.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -134.35 3.33 3.35 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 123.801 0.354 . . . . 74.32 111.506 172.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 63' ' ' ASP . 6.6 t -89.6 149.8 22.67 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.953 0.406 . . . . 74.51 110.523 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -93.04 106.08 18.09 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.083 -0.71 . . . . 74.03 109.083 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -108.65 115.45 30.12 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.662 -0.496 . . . . 74.2 109.662 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -108.85 143.98 37.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.424 -0.807 . . . . 62.32 109.585 176.775 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 14.8 m-90 -117.5 129.86 56.08 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.829 -0.804 . . . . 75.44 108.829 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.455 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 23.7 mtm180 -104.19 117.82 35.16 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.981 -0.748 . . . . 74.33 108.981 173.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -104.26 139.12 39.73 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 108.653 -0.869 . . . . 72.53 108.653 175.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 76.4 p -82.97 158.89 22.37 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 123.64 0.588 . . . . 74.24 109.883 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -68.06 -28.39 67.33 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.808 -0.633 . . . . 73.14 110.82 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -71.37 -31.31 67.18 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.506 0.722 . . . . 74.5 110.779 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.89 -24.15 44.35 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 123.545 0.528 . . . . 73.2 111.616 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.06 -26.89 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 122.975 0.51 . . . . 73.44 110.46 173.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.4 mmt -68.65 -41.07 79.86 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.064 -0.516 . . . . 70.43 112.196 173.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -89.85 -0.54 57.62 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.635 0.606 . . . . 74.15 112.635 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.54 120.28 7.48 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 123.739 0.816 . . . . 74.34 111.531 -176.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -76.41 126.55 86.18 Favored Pre-proline 0 C--O 1.239 0.532 0 CA-C-N 114.783 -1.099 . . . . 72.02 111.228 -168.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -72.25 114.53 4.01 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 121.88 1.72 . . . . 74.03 111.39 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -83.7 160.03 21.39 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.416 -0.811 . . . . 73.2 109.933 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.61 -4.85 45.14 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.498 -0.773 . . . . 64.45 111.916 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -74.56 -24.93 59.01 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.399 -0.364 . . . . 72.42 110.81 169.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.86 -15.31 21.42 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 114.808 0.683 . . . . 70.44 114.808 177.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -116.38 -34.04 4.74 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 117.554 0.677 . . . . 74.14 110.681 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.5 m -81.51 144.74 31.11 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.515 -0.766 . . . . 75.15 110.445 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.43 ' CD1' HD11 ' A' ' 10' ' ' LEU . 82.3 m95 -127.24 150.94 49.32 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.359 -0.978 . . . . 73.15 108.359 176.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -102.43 100.06 10.16 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.678 -0.49 . . . . 74.55 109.678 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.73 99.75 12.58 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.411 -0.813 . . . . 73.34 108.939 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 p -83.81 134.38 34.72 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.67 -0.695 . . . . 74.14 109.909 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.5 p -133.25 -179.02 5.25 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.298 -0.865 . . . . 75.4 110.947 -174.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.88 -17.38 80.17 Favored Glycine 0 CA--C 1.523 0.585 0 CA-C-N 115.908 -0.587 . . . . 54.53 111.776 171.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -81.52 -43.12 19.21 Favored 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 122.879 0.471 . . . . 71.11 110.981 173.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 167.21 -106.87 0.27 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.145 -0.55 . . . . 62.12 112.22 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.85 137.1 16.54 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.088 0.47 . . . . 72.23 110.374 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -126.35 134.9 50.96 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.518 -0.765 . . . . 74.45 109.587 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.531 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 15.1 tt0 -83.55 104.01 13.34 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.013 -0.736 . . . . 75.12 109.013 175.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.9 mt -92.31 106.51 18.5 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 108.648 -0.871 . . . . 63.42 108.648 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -109.16 119.68 40.26 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-O 121.446 0.641 . . . . 73.31 109.308 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 85.8 m -82.2 125.56 31.06 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 114.099 -1.409 . . . . 61.2 108.703 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.8 mt -122.7 -177.39 3.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.18 -0.918 . . . . 75.22 110.55 -175.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -166.39 151.09 19.08 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 120.555 -0.831 . . . . 71.44 112.083 -158.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 83.25 10.96 0.5 Allowed 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 126.301 1.84 . . . . 72.13 111.244 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.8 t -108.1 62.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 106.217 -1.772 . . . . 75.02 106.217 170.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.9 m -62.13 -26.44 68.31 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 114.041 -1.436 . . . . 72.21 112.857 -170.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.7 86.76 5.27 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.093 -0.706 . . . . 65.33 109.093 165.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.9 m -78.02 -37.17 47.63 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.309 -0.86 . . . . 72.43 109.797 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -116.74 -175.73 17.67 Favored Glycine 0 N--CA 1.428 -1.857 0 CA-C-N 114.969 -1.014 . . . . 70.11 110.642 172.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -102.83 1.3 33.9 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 118.788 -0.625 . . . . 65.42 111.716 -176.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.2 t70 72.35 111.2 0.06 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.52 1.528 . . . . 73.31 112.197 174.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 . . . . . 0 C--O 1.242 0.684 0 CA-C-N 116.038 -0.528 . . . . 75.24 111.331 178.707 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.202 0 N-CA-C 111.467 -0.653 . . . . 74.25 111.467 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -88.57 -168.95 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.878 -0.415 . . . . 74.21 109.878 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -76.03 -17.21 59.77 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 121.339 0.59 . . . . 74.54 110.21 176.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 90.7 mtp -96.55 144.11 26.93 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 116.115 -0.493 . . . . 72.31 110.265 171.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 p -115.61 -45.4 2.9 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.542 -0.754 . . . . 73.11 110.534 171.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.3 m -88.45 97.41 11.05 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.626 -0.715 . . . . 71.44 110.551 176.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -87.99 106.0 17.84 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.264 -0.88 . . . . 74.22 110.287 174.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -114.9 74.41 0.88 Allowed 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 108.568 -0.901 . . . . 72.24 108.568 167.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.516 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 76.6 m-85 -99.25 167.94 10.35 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 106.248 -1.76 . . . . 71.2 106.248 165.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 89' ' ' TRP . 48.2 tp -63.6 -24.84 67.96 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.477 0.486 . . . . 71.54 111.138 176.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.0 tp -66.88 -33.85 76.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.331 -0.85 . . . . 73.03 112.437 177.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -82.01 -24.25 35.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.312 0.577 . . . . 74.24 109.999 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 10.8 mm-40 -81.73 -33.05 31.29 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.442 -0.799 . . . . 64.31 112.181 -174.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 pp -71.89 -22.49 61.49 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.419 0.526 . . . . 73.52 112.419 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -76.39 -23.98 54.09 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.964 -0.562 . . . . 61.43 112.073 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.5 p -110.8 17.63 20.38 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.848 0.356 . . . . 63.42 111.029 176.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.82 121.2 33.22 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.373 0.606 . . . . 71.21 110.899 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -82.89 -52.51 6.65 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.563 -0.902 . . . . 74.35 108.563 171.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 30.5 ttp -113.17 143.19 44.8 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.319 -1.31 . . . . 74.33 108.301 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.3 144.94 50.95 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.353 -0.61 . . . . 74.32 109.353 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 86.0 mt-10 -113.03 153.17 28.53 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 116.329 -0.396 . . . . 73.31 110.102 174.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 13.9 tt -146.57 98.59 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-O 122.398 1.094 . . . . 73.4 110.496 170.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.1 t70 60.64 43.95 12.02 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 113.956 -1.474 . . . . 75.23 111.122 175.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.16 -23.45 34.59 Favored Glycine 0 C--N 1.334 0.464 0 CA-C-N 115.046 -0.979 . . . . 75.12 112.822 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 mp -87.96 126.78 35.25 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-O 120.98 0.419 . . . . 74.44 110.841 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -89.16 110.37 21.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.308 -0.405 . . . . 74.14 111.047 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.83 116.68 12.5 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.208 0.528 . . . . 75.13 109.886 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.4 p-90 -84.94 -24.71 28.26 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.301 -0.863 . . . . 75.45 110.564 -172.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -150.1 136.24 18.74 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 108.248 -1.019 . . . . 75.22 108.248 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -138.78 154.38 48.5 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.854 -0.612 . . . . 74.02 111.032 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -108.04 147.74 30.74 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.315 -0.857 . . . . 72.13 109.565 178.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.2 mt -123.5 138.02 54.66 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 114.908 -1.042 . . . . 71.24 108.528 177.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.495 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 37.5 t-20 -81.07 91.06 6.04 Favored 'General case' 0 C--O 1.224 -0.288 0 N-CA-C 108.405 -0.961 . . . . 63.32 108.405 176.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -74.13 -25.48 59.79 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 124.086 0.866 . . . . 74.41 111.27 -172.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.484 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 25.4 m-80 -67.17 -44.42 79.77 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 123.844 0.715 . . . . 74.3 111.173 173.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.3 tp -74.16 -25.01 59.49 Favored 'General case' 0 C--O 1.221 -0.422 0 O-C-N 123.82 0.7 . . . . 75.03 111.118 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 69.2 mt -83.24 -21.75 33.29 Favored 'General case' 0 C--O 1.223 -0.32 0 O-C-N 123.413 0.446 . . . . 62.41 111.564 176.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -70.71 -38.54 73.64 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 109.317 -0.623 . . . . 74.15 109.317 171.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.484 ' HG3' ' O ' ' A' ' 35' ' ' ASN . 63.6 mt-30 -74.98 -29.41 60.89 Favored 'General case' 0 C--O 1.225 -0.203 0 O-C-N 124.296 0.998 . . . . 73.51 111.042 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.6 77.79 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 122.714 0.406 . . . . 75.42 111.206 177.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 25.9 t70 -77.81 -29.72 50.86 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.431 -0.804 . . . . 74.42 110.844 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.82 -46.04 92.08 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.538 1.135 . . . . 74.04 110.156 173.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.78 -36.27 75.6 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 115.114 -0.948 . . . . 71.3 110.795 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.89 -23.38 62.27 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.186 0.439 . . . . 64.33 112.186 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 41' ' ' ASP . 49.2 mt-10 -74.44 -27.82 60.77 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 122.87 0.468 . . . . 65.42 111.123 171.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.24 3.73 54.1 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.05 0.54 . . . . 71.01 112.08 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 67.9 27.01 7.39 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 123.029 1.395 . . . . 65.32 111.035 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -109.67 123.59 36.01 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 115.454 -0.794 . . . . 74.02 109.49 -176.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.21 124.69 15.3 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.466 2.111 . . . . 73.13 111.945 172.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.407 ' HD2' ' CZ ' ' A' ' 74' ' ' TYR . 45.7 t80 -93.29 130.48 39.0 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.645 -0.707 . . . . 75.1 110.013 -176.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -132.43 130.31 40.42 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.659 -0.701 . . . . 75.0 110.379 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -146.48 148.16 31.95 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.276 -1.009 . . . . 74.25 108.276 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -107.9 12.5 27.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.594 0.235 . . . . 74.24 111.052 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.52 168.65 18.02 Favored 'General case' 0 N--CA 1.462 0.126 0 N-CA-C 109.151 -0.685 . . . . 44.33 109.151 174.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 8.9 p-90 -68.95 152.55 45.13 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 120.921 0.391 . . . . 73.41 110.672 -176.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 p -135.15 -24.8 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 CA-C-O 120.975 0.416 . . . . 73.33 111.36 176.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.8 tp -142.06 124.0 15.31 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.904 0.383 . . . . 73.02 110.929 -172.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.56 99.85 6.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.387 -0.824 . . . . 63.33 109.797 174.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -99.96 113.8 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.9 0.381 . . . . 74.44 110.934 -174.092 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -101.0 118.93 37.97 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.726 0.774 . . . . 74.33 109.827 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t -119.54 145.51 46.3 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 114.305 -1.316 . . . . 71.13 109.205 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.6 mt -103.79 116.01 31.51 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.89 -0.324 . . . . 53.43 110.748 -176.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.51 ' O ' ' HB ' ' A' ' 66' ' ' THR . 29.5 t70 -115.21 97.25 6.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.41 0.624 . . . . 54.23 109.444 175.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.22 -116.92 4.49 Favored Glycine 0 N--CA 1.441 -1.001 0 N-CA-C 110.398 -1.081 . . . . 73.32 110.398 -172.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -115.41 16.22 16.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.724 0.773 . . . . 74.53 109.103 169.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 63' ' ' ASP . 3.2 m -87.42 128.05 35.21 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.434 -1.257 . . . . 73.33 111.0 -178.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -94.16 100.3 12.41 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.887 -1.051 . . . . 73.41 108.533 172.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -108.84 116.13 31.41 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.95 -0.568 . . . . 72.12 109.481 -175.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 38.2 tt0 -119.08 133.2 55.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.048 0.451 . . . . 72.44 110.714 -177.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 23.3 m-90 -108.88 124.88 51.34 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.754 -0.657 . . . . 72.42 109.275 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -107.96 119.17 38.7 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.513 0.673 . . . . 74.43 109.699 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -108.79 148.85 29.92 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.168 -0.924 . . . . 74.41 111.105 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.4 m -75.05 156.93 35.61 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 114.928 -1.033 . . . . 73.34 109.73 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.407 ' CZ ' ' HD2' ' A' ' 50' ' ' PHE . 63.7 t80 -60.93 -37.5 82.53 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.851 0.86 . . . . 73.23 110.085 175.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -25.69 64.98 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 124.276 0.985 . . . . 71.11 112.102 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.07 -34.68 43.47 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 121.121 0.486 . . . . 73.2 110.975 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.9 t -76.55 -24.6 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-N 115.624 -0.717 . . . . 74.34 111.204 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mmt -75.24 -38.83 60.41 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.189 -0.46 . . . . 74.22 111.815 175.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -81.71 -3.67 54.29 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.528 0.566 . . . . 74.13 112.528 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.93 117.37 6.31 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.366 0.603 . . . . 72.51 111.934 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -84.92 131.85 47.72 Favored Pre-proline 0 N--CA 1.439 -1.008 0 CA-C-N 114.424 -1.262 . . . . 74.42 110.776 -173.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -64.87 131.92 30.71 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 121.804 1.669 . . . . 71.45 111.709 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -88.88 173.15 8.67 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.772 -0.649 . . . . 62.13 111.641 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.51 -7.92 56.99 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.434 -0.803 . . . . 71.54 111.531 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -74.86 -23.02 58.36 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 114.923 -1.035 . . . . 73.2 110.703 171.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.44 -13.69 39.22 Favored Glycine 0 C--N 1.342 0.908 0 N-CA-C 114.747 0.659 . . . . 64.44 114.747 175.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -123.06 -30.04 3.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.02 0.41 . . . . 65.23 110.853 -177.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.6 m -86.44 151.89 23.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 73.21 111.436 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.571 ' CD1' HD11 ' A' ' 10' ' ' LEU . 72.0 m95 -126.81 146.95 50.06 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.873 -0.603 . . . . 75.01 110.487 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -95.54 99.78 11.62 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.858 -0.61 . . . . 75.52 110.62 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.42 106.04 18.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.976 -1.011 . . . . 74.41 108.996 177.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.1 p -110.33 110.27 21.01 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.501 0.667 . . . . 72.11 112.058 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 81.5 p -102.27 -173.27 2.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.022 -0.99 . . . . 70.04 109.953 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.77 -10.65 83.41 Favored Glycine 0 C--N 1.338 0.653 0 C-N-CA 121.284 -0.484 . . . . 73.0 112.436 172.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -85.66 -45.58 11.56 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.357 0.663 . . . . 71.13 109.964 177.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.77 -113.88 0.54 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.624 -0.798 . . . . 75.11 113.22 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -147.1 139.64 24.83 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.935 0.494 . . . . 70.24 110.677 -171.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -137.63 140.1 40.7 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 108.886 -0.783 . . . . 75.13 108.886 -178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 43.7 tt0 -101.66 98.66 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.981 0.42 . . . . 63.33 109.934 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 33.2 mt -94.47 111.59 23.34 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.896 -0.409 . . . . 74.11 109.896 -179.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -119.59 115.64 24.4 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.704 -0.48 . . . . 71.43 109.704 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 77.0 m -83.71 122.83 29.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.233 -0.894 . . . . 73.12 110.974 -177.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 74.1 mt -118.94 158.61 25.39 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.968 -1.015 . . . . 74.11 111.358 -173.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 79.03 -176.51 54.68 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.889 -0.596 . . . . 74.3 112.688 -176.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.83 53.15 1.22 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.326 0.584 . . . . 61.41 110.079 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.2 t -129.34 126.03 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 N-CA-C 107.514 -1.291 . . . . 72.31 107.514 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.7 t -49.89 130.75 22.07 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 125.252 1.595 . . . . 72.13 112.022 175.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -111.68 135.73 51.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.183 -0.917 . . . . 73.23 110.807 -175.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.5 p -147.49 156.64 43.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.536 -0.756 . . . . 73.41 109.814 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 138.37 116.88 1.48 Allowed Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.582 -0.818 . . . . 72.31 112.77 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -146.17 -39.56 0.22 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.118 -0.697 . . . . 74.43 109.118 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -90.76 121.77 32.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.895 -1.048 . . . . 73.05 109.723 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.245 0.844 0 CA-C-O 118.497 -0.763 . . . . 74.32 111.512 179.821 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 112.36 -0.296 . . . . 63.3 112.36 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -95.21 94.71 8.06 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.973 -0.38 . . . . 74.02 109.973 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.41 70.72 6.02 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 122.188 0.994 . . . . 62.34 111.14 177.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 54.9 mtt -119.81 139.11 52.85 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 113.803 -1.544 . . . . 73.24 107.287 169.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.1 p -67.34 -41.25 85.51 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 123.781 0.676 . . . . 74.51 110.144 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.252 14.6 t 46.54 46.71 14.43 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.647 1.979 . . . . 71.33 114.349 169.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -76.07 87.4 2.97 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 108.336 -0.987 . . . . 74.44 108.336 167.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 -102.28 30.74 4.36 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.78 -0.452 . . . . 74.02 109.78 172.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.523 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 92.7 m-85 -68.63 163.13 24.45 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 124.154 0.909 . . . . 72.11 109.138 171.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 89' ' ' TRP . 62.0 tp -58.55 -25.8 62.87 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 123.788 0.68 . . . . 71.25 112.342 178.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.1 tp -59.15 -39.15 81.53 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.697 0.799 . . . . 72.43 112.669 173.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -82.52 -31.69 29.07 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.756 0.312 . . . . 72.2 110.695 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 36.6 mm-40 -69.09 -30.85 69.24 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.333 -0.849 . . . . 73.5 111.941 -176.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -74.89 -22.82 58.41 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.728 0.27 . . . . 64.25 111.728 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -74.09 -33.58 63.68 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.058 -0.519 . . . . 74.41 111.739 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.9 p -97.82 -3.74 38.21 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.043 -0.526 . . . . 75.42 111.942 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.25 127.73 33.83 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 122.565 0.346 . . . . 73.43 111.69 -176.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.18 -57.67 3.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.629 -0.878 . . . . 71.25 108.629 169.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.0 mtm -110.58 154.09 24.23 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.064 -0.971 . . . . 72.33 109.086 176.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.2 tp -132.01 119.13 20.64 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.068 -0.716 . . . . 75.52 109.068 175.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 11.7 tt0 -105.04 152.31 22.9 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 114.792 -1.095 . . . . 74.24 110.371 -174.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.57 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 12.8 tt -132.69 107.47 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-O 122.168 0.985 . . . . 73.14 111.027 174.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.1 t70 54.69 56.79 6.34 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 125.021 1.329 . . . . 61.34 112.069 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.02 14.91 76.24 Favored Glycine 0 CA--C 1.527 0.784 0 CA-C-N 115.553 -0.749 . . . . 73.55 113.854 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 tt -132.44 105.71 7.43 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 107.437 -1.319 . . . . 75.34 107.437 -176.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 28.7 p-80 -82.12 133.53 35.28 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 111.837 0.31 . . . . 74.43 111.837 -170.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.55 145.48 26.2 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.667 -0.242 . . . . 74.01 110.373 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 44.3 p-90 -90.9 -25.03 20.02 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.03 0.443 . . . . 75.35 110.116 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -135.57 135.73 40.54 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.861 -0.609 . . . . 73.32 109.45 -177.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -144.02 146.37 32.84 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.085 -0.961 . . . . 75.33 109.229 172.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -126.84 147.25 50.05 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.468 -0.787 . . . . 73.5 109.293 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.8 mt -117.72 144.39 45.33 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.257 -0.883 . . . . 70.4 109.023 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.615 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 48.6 t-20 -79.52 86.96 5.14 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.377 -0.972 . . . . 62.22 108.377 175.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -28.8 62.05 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.796 -1.093 . . . . 70.43 112.489 -172.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -59.56 -43.59 93.52 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.768 0.827 . . . . 73.11 111.491 173.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 tp -79.26 -23.44 43.65 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 114.875 -1.057 . . . . 71.32 111.035 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 20.1 mt -78.92 -28.55 43.89 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 111.995 0.369 . . . . 75.01 111.995 -179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -63.73 -41.01 98.12 Favored 'General case' 0 C--O 1.219 -0.551 0 O-C-N 123.531 0.519 . . . . 72.41 109.726 172.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -71.87 -31.22 66.24 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.651 1.219 . . . . 74.43 112.416 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.22 -43.01 83.09 Favored 'General case' 0 CA--C 1.513 -0.471 0 O-C-N 123.662 0.601 . . . . 63.05 111.233 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -78.89 -31.98 45.66 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 124.063 0.852 . . . . 75.23 111.181 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 tt -56.57 -44.24 80.8 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.57 1.148 . . . . 74.43 111.047 173.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.65 -39.58 51.8 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 115.575 -0.739 . . . . 74.33 111.307 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.33 -30.16 69.06 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.663 0.616 . . . . 74.25 112.663 -177.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.44 -23.29 53.93 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 122.432 0.293 . . . . 64.41 111.503 174.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.31 8.34 27.92 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.387 -0.37 . . . . 74.3 111.646 174.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.4 t70 67.96 23.23 8.31 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 125.116 1.366 . . . . 74.31 111.409 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -106.29 129.95 23.72 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.238 -0.892 . . . . 75.02 110.019 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -64.7 131.42 29.33 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.779 2.319 . . . . 64.25 112.545 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -112.89 120.29 40.92 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.692 -0.484 . . . . 74.2 109.692 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.59 132.35 37.03 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.727 -0.472 . . . . 72.13 109.727 172.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -140.94 141.36 34.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.404 -0.816 . . . . 74.1 109.418 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -95.13 12.58 28.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.937 0.347 . . . . 73.2 111.937 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -81.65 164.99 21.43 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.439 -0.949 . . . . 74.44 108.439 172.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -66.21 154.3 40.18 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 120.711 0.291 . . . . 73.22 110.335 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.9 p -135.06 -22.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.215 0.531 . . . . 75.32 110.519 170.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.65 130.1 43.5 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 116.186 -0.461 . . . . 74.33 109.925 -174.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.36 108.72 8.87 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.013 -0.736 . . . . 43.31 109.013 166.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -104.8 118.45 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.47 -0.332 . . . . 74.33 110.394 178.057 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -107.9 125.8 51.91 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.159 -0.682 . . . . 74.43 109.159 173.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -125.85 152.25 45.76 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 115.187 -0.915 . . . . 52.35 110.407 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -101.48 105.21 16.18 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.818 0.818 . . . . 74.31 111.622 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.43 ' O ' ' HB ' ' A' ' 66' ' ' THR . 31.4 t70 -100.99 93.19 5.37 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.796 -1.093 . . . . 73.12 108.368 173.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.04 -102.25 1.9 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.819 -0.912 . . . . 61.02 110.819 -171.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -114.5 -13.43 12.2 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.316 0.647 . . . . 74.41 109.751 172.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 63' ' ' ASP . 92.7 m -66.72 114.69 5.81 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.237 1.415 . . . . 64.32 112.15 -175.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -89.86 99.17 12.23 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.515 -0.92 . . . . 74.14 108.515 171.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -107.4 124.72 50.26 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.968 -0.382 . . . . 73.11 109.968 -174.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 21.7 tt0 -112.91 128.34 56.44 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.326 0.584 . . . . 64.14 110.9 -175.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 20.5 m-90 -110.53 126.31 54.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.206 -0.906 . . . . 71.41 109.295 173.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -108.37 133.83 52.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.119 0.485 . . . . 74.11 110.276 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -122.99 136.89 55.03 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 115.261 -0.881 . . . . 74.33 109.452 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.4 m -77.93 161.26 27.69 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.096 0.873 . . . . 72.11 110.094 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -61.62 -36.43 80.73 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 124.023 0.827 . . . . 75.21 110.583 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -67.76 -34.81 77.53 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.157 -0.928 . . . . 73.34 111.712 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.23 -36.42 71.84 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.679 0.612 . . . . 74.04 111.657 177.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.9 t -69.56 -27.41 33.8 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 123.91 0.884 . . . . 73.32 111.979 175.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.1 mmt -69.65 -41.45 75.55 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.898 -0.137 . . . . 75.23 111.143 174.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -92.1 9.36 33.77 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 113.162 0.801 . . . . 73.23 113.162 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.33 124.96 24.14 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.069 0.461 . . . . 65.21 110.459 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -79.51 128.73 74.08 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 114.327 -1.306 . . . . 75.52 111.12 -167.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -75.8 112.39 3.5 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.865 1.71 . . . . 73.21 111.548 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -78.72 166.13 22.82 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.949 -0.76 . . . . 72.23 108.949 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.53 -12.96 61.9 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.036 0.754 . . . . 74.24 113.036 -174.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.41 -24.73 59.14 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.514 0.726 . . . . 65.11 110.873 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.73 -16.37 15.24 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 114.782 0.673 . . . . 71.21 114.782 175.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 24.8 mt-10 -112.46 -23.17 10.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.357 -0.608 . . . . 62.13 109.357 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.6 m -85.87 133.57 33.95 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.04 -0.982 . . . . 72.51 110.301 175.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.52 ' O ' ' HA ' ' A' ' 99' ' ' GLN . 94.2 m95 -120.5 156.02 32.39 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.866 -0.607 . . . . 74.52 110.038 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -111.31 107.86 17.28 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.657 -0.497 . . . . 75.11 109.657 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -96.73 97.25 9.18 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.656 -0.868 . . . . 74.34 108.656 174.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.0 m -97.54 103.73 15.69 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.188 -0.671 . . . . 75.14 109.188 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.1 p -105.5 -174.06 2.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.489 -1.232 . . . . 73.02 110.238 -173.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.87 -19.75 79.75 Favored Glycine 0 C--N 1.342 0.875 0 O-C-N 123.401 0.438 . . . . 71.44 112.691 173.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -83.71 -47.44 11.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 122.389 0.276 . . . . 74.32 110.576 175.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.16 -170.45 42.53 Favored Glycine 0 C--N 1.34 0.801 0 N-CA-C 112.179 -0.368 . . . . 74.32 112.179 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.97 121.6 42.46 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.219 0.533 . . . . 71.43 110.756 -175.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -117.52 130.66 56.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.191 -0.913 . . . . 62.45 110.027 -175.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.57 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 26.5 tt0 -92.12 103.89 16.33 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 120.952 -0.299 . . . . 74.31 111.473 -175.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.1 mt -90.14 111.38 22.5 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.8 -0.76 . . . . 70.22 109.252 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 13.8 ttp180 -117.93 121.8 41.63 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.281 -0.872 . . . . 74.4 109.176 -176.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 64.0 m -86.98 118.93 26.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.123 0.487 . . . . 74.1 110.825 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.73 136.38 49.88 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 108.548 -0.908 . . . . 71.44 108.548 -175.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 79.65 176.92 49.79 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.431 -0.89 . . . . 63.24 112.704 -177.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -152.62 112.08 3.89 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.811 0.338 . . . . 75.32 110.532 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.8 t -116.05 87.69 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.394 0 N-CA-C 108.473 -0.936 . . . . 73.54 108.473 169.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.0 t -165.89 124.54 1.58 Allowed 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 113.523 -1.671 . . . . 72.11 106.543 174.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.38 -64.53 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.097 -0.705 . . . . 52.5 109.097 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.0 m -145.19 7.95 1.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.842 -1.072 . . . . 75.45 108.657 169.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 157.88 -137.39 5.29 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 110.027 -1.229 . . . . 64.32 110.027 -172.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -128.09 -60.63 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 117.235 0.518 . . . . 73.42 111.378 176.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -140.49 -62.58 0.49 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.653 -0.249 . . . . 75.25 110.653 -176.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.8 -0.619 . . . . 75.33 110.076 -175.087 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.195 0 CA-C-O 119.513 -0.604 . . . . 62.15 111.871 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 59.76 -155.54 0.35 Allowed 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 125.339 1.456 . . . . 73.24 111.638 177.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -103.84 36.79 2.21 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 121.91 0.862 . . . . 75.55 109.935 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 66.5 mtm -120.24 109.82 15.85 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 121.601 -0.687 . . . . 74.02 110.702 174.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.5 p -72.09 -58.51 3.37 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.436 -0.802 . . . . 64.44 110.732 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.2 m -84.62 101.59 12.26 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 108.595 -0.891 . . . . 74.33 108.595 169.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -65.12 -35.29 80.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.236 -0.893 . . . . 75.23 111.505 176.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.437 ' HG2' ' OD2' ' A' ' 12' ' ' ASP . 32.3 mtt-85 61.1 75.41 0.41 Allowed 'General case' 0 CA--C 1.507 -0.704 0 O-C-N 125.051 1.469 . . . . 65.51 110.42 -171.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -72.26 170.76 13.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.88 -1.054 . . . . 64.13 108.482 172.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 59.8 tp -64.29 -23.61 67.36 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 117.993 0.36 . . . . 75.41 111.761 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.9 mt -68.68 -41.45 79.22 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 112.116 0.413 . . . . 74.54 112.116 172.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.437 ' OD2' ' HG2' ' A' ' 8' ' ' ARG . 22.9 t70 -69.88 -29.39 66.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.308 -0.405 . . . . 61.44 110.493 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.499 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 31.9 mm-40 -65.65 -54.01 33.5 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 123.835 0.854 . . . . 70.31 112.122 176.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 2.6 pp -69.72 -21.58 63.46 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.103 0.408 . . . . 64.3 112.103 -178.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -75.12 -31.14 61.04 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 112.955 0.724 . . . . 72.2 112.955 171.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.568 ' O ' ' HA ' ' A' ' 105' ' ' ALA . 40.2 p -100.56 15.0 29.49 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 121.624 -0.672 . . . . 73.24 111.234 178.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.02 147.23 52.44 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.04 0.448 . . . . 74.02 111.998 -176.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -107.39 -35.25 6.83 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.026 -0.988 . . . . 65.14 109.959 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 40.8 mtm -97.23 149.99 21.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.449 -0.796 . . . . 73.04 109.692 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.3 tp -152.35 121.45 6.66 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.361 -0.607 . . . . 74.0 109.361 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.468 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 36.1 mt-10 -108.46 152.85 24.15 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.278 -0.638 . . . . 74.43 109.278 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.5 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 9.4 tt -141.8 107.29 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-O 121.635 0.731 . . . . 74.43 111.249 -176.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 t70 60.85 28.58 18.33 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-O 122.389 1.09 . . . . 71.12 111.229 177.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.1 -9.96 61.63 Favored Glycine 0 CA--C 1.526 0.756 0 O-C-N 121.518 -0.739 . . . . 74.13 113.654 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 mt -102.45 118.83 37.7 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 109.718 -0.475 . . . . 74.05 109.718 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -81.67 124.96 30.03 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.041 -0.664 . . . . 75.44 110.693 -176.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.5 120.36 16.02 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.304 -0.628 . . . . 74.42 109.304 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.0 p-90 -82.01 -24.08 35.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.744 -0.662 . . . . 74.1 109.421 -176.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -150.68 135.0 17.04 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 114.804 -1.089 . . . . 75.33 108.53 173.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -129.48 158.12 40.11 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.276 -0.874 . . . . 74.23 109.26 171.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -128.72 146.03 51.0 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.307 -0.627 . . . . 75.34 109.307 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.9 mt -119.48 145.76 46.02 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.704 -0.68 . . . . 74.44 110.463 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -83.54 93.05 7.75 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.638 -0.875 . . . . 72.14 108.638 175.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -75.45 -20.97 58.51 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.598 0.592 . . . . 73.51 112.598 -173.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -67.35 -51.22 54.95 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 123.659 0.599 . . . . 73.31 110.171 172.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.9 tp -75.66 -23.79 56.29 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.698 -0.683 . . . . 74.32 111.354 -175.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.1 mt -83.16 -19.61 36.28 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 112.091 0.404 . . . . 75.12 112.091 175.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.4 -46.84 59.22 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.023 -0.732 . . . . 72.22 109.023 171.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -72.74 -25.66 61.28 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.935 0.772 . . . . 75.21 111.562 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.78 -43.01 80.76 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 123.219 0.608 . . . . 61.14 111.053 175.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.4 -40.61 70.39 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.151 -0.931 . . . . 73.32 110.71 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.6 tt -55.59 -49.68 72.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.935 1.294 . . . . 74.42 111.058 177.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.05 -39.15 75.87 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.801 -0.636 . . . . 74.2 111.399 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.3 -38.75 92.37 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.321 0.388 . . . . 54.41 111.793 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -65.31 -32.39 74.02 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.546 0.738 . . . . 73.44 111.131 174.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.92 12.3 9.57 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.953 -0.567 . . . . 74.14 112.31 177.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t70 71.49 12.55 6.53 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 125.87 1.668 . . . . 72.45 112.128 174.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -103.45 124.94 36.39 Favored Pre-proline 0 C--N 1.316 -0.88 0 O-C-N 121.658 -0.651 . . . . 74.12 109.841 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -62.7 125.34 15.86 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 121.831 1.687 . . . . 71.44 110.89 169.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -87.44 131.03 34.46 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 108.758 -0.83 . . . . 73.51 108.758 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.33 118.86 20.91 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.481 -0.781 . . . . 75.4 110.091 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.0 m -142.2 143.48 32.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.442 -0.799 . . . . 75.24 109.365 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -102.86 15.44 29.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.743 -0.208 . . . . 75.05 111.356 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.33 170.08 17.03 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 108.773 -0.825 . . . . 74.54 108.773 172.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -72.69 154.15 40.85 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 109.429 -0.582 . . . . 74.5 109.429 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.7 p -135.55 -26.08 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 C-N-CA 120.347 -0.541 . . . . 71.15 111.651 174.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.7 tp -141.48 121.71 13.89 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.98 0.419 . . . . 73.15 110.968 -172.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.26 102.18 9.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.635 -0.711 . . . . 74.41 109.5 175.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.3 m -101.29 121.72 52.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.119 0.485 . . . . 62.02 110.176 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -112.6 124.32 52.28 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.242 -0.436 . . . . 73.22 109.874 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.0 t -122.18 142.11 50.75 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.385 -0.968 . . . . 72.31 108.385 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.8 mt -79.02 130.5 35.59 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.817 -0.753 . . . . 74.11 109.207 173.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -123.16 100.26 6.77 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.453 -0.943 . . . . 73.45 108.453 -175.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.36 -87.66 1.44 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.896 -0.882 . . . . 63.13 110.896 -171.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.5 ptt-85 -142.46 -0.62 1.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.206 0.602 . . . . 73.32 111.204 175.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 t -104.26 173.19 6.41 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 110.182 -0.303 . . . . 73.3 110.182 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.41 124.36 49.48 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.807 0.813 . . . . 75.54 110.28 176.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -114.04 116.34 29.02 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.548 -1.205 . . . . 75.22 108.254 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' OE2' ' HD2' ' A' ' 71' ' ' ARG . 34.6 tt0 -120.06 124.01 44.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.867 0.365 . . . . 74.3 111.452 -171.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 14.6 m-90 -108.82 129.06 55.39 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 115.53 -0.759 . . . . 75.53 109.135 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.437 ' HD2' ' OE2' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -112.22 122.73 48.55 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.964 -0.754 . . . . 75.1 108.964 177.178 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -103.48 130.64 50.89 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 114.799 -1.091 . . . . 74.52 109.412 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.0 m -68.15 152.63 45.19 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 114.671 -1.15 . . . . 75.21 109.014 172.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -56.92 -39.35 74.3 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.512 0.725 . . . . 73.41 110.684 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -65.36 -37.77 88.06 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.937 0.895 . . . . 75.14 111.952 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.94 -36.45 72.61 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.048 0.539 . . . . 63.51 111.443 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 25.5 t -67.28 -30.3 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 123.814 0.846 . . . . 75.2 112.103 175.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mmt -70.86 -42.13 70.5 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.419 0.288 . . . . 64.22 111.475 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -88.56 6.18 39.24 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.638 0.607 . . . . 74.23 112.638 -176.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.36 131.96 49.97 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.29 0.567 . . . . 74.3 111.453 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 90' ' ' ARG . 16.0 tt0 -78.62 124.96 85.14 Favored Pre-proline 0 N--CA 1.441 -0.919 0 CA-C-N 114.115 -1.402 . . . . 72.24 110.703 -171.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -70.84 131.79 20.38 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 121.609 1.539 . . . . 65.3 110.846 173.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -98.8 170.46 8.75 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.211 -0.449 . . . . 70.31 110.114 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.44 -9.76 58.89 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.169 0.509 . . . . 71.21 111.742 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.65 -24.38 45.26 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.589 -0.732 . . . . 63.41 110.646 175.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.36 -18.4 4.44 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 115.502 0.961 . . . . 65.41 115.502 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 41.0 mt-10 -110.65 -27.74 8.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 118.134 0.967 . . . . 73.25 109.626 177.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.9 m -85.46 143.46 28.55 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.2 -0.909 . . . . 73.31 110.577 177.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.515 ' O ' ' HA ' ' A' ' 99' ' ' GLN . 82.3 m95 -131.76 150.14 52.25 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 115.605 -0.725 . . . . 73.23 110.197 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.405 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 53.6 ttt180 -108.26 99.39 8.81 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.104 0.478 . . . . 75.32 109.927 -176.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.65 100.6 13.3 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-N 115.264 -0.88 . . . . 53.32 109.986 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.8 m -101.62 110.07 21.99 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.953 0.882 . . . . 65.14 109.499 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 82.8 p -109.83 -172.05 1.96 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 113.541 -1.663 . . . . 74.02 110.295 -172.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.4 -5.35 89.85 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-N 116.359 -0.382 . . . . 64.52 112.472 171.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -92.01 -46.46 7.79 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.079 0.552 . . . . 75.51 109.991 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.15 -128.17 1.43 Allowed Glycine 0 C--O 1.22 -0.753 0 C-N-CA 121.244 -0.503 . . . . 75.41 112.931 -179.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -140.8 119.83 12.77 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 123.323 0.649 . . . . 72.31 109.41 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.439 ' HB3' ' CG1' ' A' ' 22' ' ' ILE . 69.0 m-85 -122.48 122.94 40.12 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 122.912 0.485 . . . . 71.13 110.176 -173.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.515 ' HA ' ' O ' ' A' ' 89' ' ' TRP . 17.0 tt0 -94.45 108.2 20.14 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.384 -0.526 . . . . 73.1 111.532 -174.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.468 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 49.4 mt -92.44 109.76 21.16 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.383 -0.372 . . . . 75.22 111.068 -178.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 33.1 ttp180 -112.44 115.41 28.64 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.603 0.716 . . . . 74.33 109.981 178.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.499 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 14.7 m -90.58 125.25 35.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.239 -1.346 . . . . 72.34 111.161 -174.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.9 mt -124.72 161.69 25.83 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 109.118 -0.697 . . . . 64.44 109.118 176.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.48 -173.17 36.86 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.753 -0.737 . . . . 44.02 112.404 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.568 ' HA ' ' O ' ' A' ' 16' ' ' THR . . . -152.03 36.32 0.54 Allowed 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.016 0.747 . . . . 62.33 113.016 -175.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.6 t -138.91 112.92 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.818 -0.551 . . . . 75.12 111.131 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.0 148.2 8.44 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 124.687 1.242 . . . . 64.23 110.116 163.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -146.58 111.12 5.19 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.141 -0.482 . . . . 72.42 110.667 176.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.3 m -121.6 142.19 50.36 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 122.578 0.351 . . . . 55.32 110.643 175.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.9 68.81 0.1 Allowed Glycine 0 CA--C 1.509 -0.332 0 C-N-CA 121.002 -0.618 . . . . 52.53 111.955 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -139.14 19.86 2.61 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.408 0.521 . . . . 62.41 112.408 -175.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -157.1 127.9 6.66 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 121.044 -0.262 . . . . 63.11 111.473 -173.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--O 1.245 0.818 0 CA-C-O 118.663 -0.684 . . . . 73.35 111.592 -176.801 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 112.024 -0.431 . . . . 72.32 112.024 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 p -89.29 61.39 5.68 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.494 0.664 . . . . 73.44 111.528 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.76 -29.62 51.1 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.933 -0.576 . . . . 73.11 109.913 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 72.5 mtm -84.5 106.8 16.35 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.054 -1.091 . . . . 73.42 108.054 166.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -19.17 54.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.072 -0.967 . . . . 74.25 111.281 -174.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.9 m -87.13 101.57 13.62 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 108.987 -0.746 . . . . 70.21 108.987 170.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -77.32 96.75 4.68 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.812 0.695 . . . . 74.53 110.526 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -101.7 82.61 2.3 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 108.949 -0.76 . . . . 63.31 108.949 -176.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -99.85 166.19 11.2 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 113.853 -1.521 . . . . 74.11 108.678 175.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.8 tp -68.4 -32.36 72.35 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.222 -0.659 . . . . 74.3 109.222 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.12 -35.71 77.77 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 124.548 1.155 . . . . 74.13 111.952 174.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -70.82 -41.1 71.99 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.118 0.567 . . . . 61.34 111.156 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -80.41 -31.52 37.62 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 113.822 1.045 . . . . 75.14 113.822 -170.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -69.59 -21.81 63.57 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.329 0.492 . . . . 75.23 112.329 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.97 -36.77 75.48 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.795 -0.639 . . . . 73.1 111.757 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.434 ' O ' ' HA ' ' A' ' 105' ' ' ALA . 17.2 p -107.2 -11.03 15.69 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.53 0.937 . . . . 74.13 113.53 -172.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.03 163.25 27.33 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.309 0.576 . . . . 72.51 112.127 -176.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -119.24 -42.83 2.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.311 -0.859 . . . . 73.44 109.71 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.0 ttp -112.89 130.54 56.07 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.527 -0.76 . . . . 72.05 109.351 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.9 tp -131.47 117.3 18.63 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.141 -0.688 . . . . 75.35 109.141 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 25.8 mt-10 -98.06 154.83 17.45 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.566 -0.743 . . . . 60.31 110.535 -175.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.613 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 14.9 tt -134.11 107.74 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 CA-C-O 122.253 1.025 . . . . 75.21 110.569 176.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.427 ' HA ' ' HB3' ' A' ' 99' ' ' GLN . 21.7 t70 61.82 28.82 17.69 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 125.252 1.421 . . . . 72.31 111.064 -177.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.68 -10.02 66.48 Favored Glycine 0 C--N 1.335 0.525 0 CA-C-N 115.77 -0.65 . . . . 62.22 113.058 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -95.39 108.31 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.984 -1.117 . . . . 75.13 107.984 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -75.15 144.0 42.99 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.042 0.214 . . . . 74.22 110.956 -175.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.19 140.14 34.86 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.012 -0.366 . . . . 63.11 110.012 175.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -80.44 -26.8 38.16 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.638 0.586 . . . . 74.35 110.153 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -141.14 134.78 30.12 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 114.718 -1.128 . . . . 75.04 108.558 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 22.1 p90 -129.75 138.19 50.96 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 108.237 -1.023 . . . . 75.42 108.237 170.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' HB3' ' H ' ' A' ' 111' ' ' GLU . 8.6 mt-10 -116.84 145.36 43.61 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 114.993 -1.003 . . . . 72.51 110.201 -173.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.5 mt -115.93 148.7 39.77 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.211 -0.904 . . . . 74.4 109.24 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.435 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 45.8 t-20 -84.4 103.89 13.95 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.861 -1.163 . . . . 73.3 107.861 174.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -68.56 -43.46 76.54 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.619 1.199 . . . . 75.43 111.924 -167.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -71.78 -37.67 70.43 Favored 'General case' 0 C--O 1.225 -0.214 0 O-C-N 123.994 0.809 . . . . 73.12 111.75 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.5 tp -75.56 -25.38 57.05 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.584 0.552 . . . . 74.4 111.122 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 36.9 mt -83.07 -20.65 34.53 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 112.338 0.496 . . . . 73.44 112.338 178.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.37 -41.48 84.97 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.925 0.766 . . . . 65.34 109.357 170.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -74.14 -30.26 62.2 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 115.175 -0.92 . . . . 74.34 110.847 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.84 89.98 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 123.293 0.637 . . . . 63.43 111.865 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -79.05 -30.32 44.01 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 115.629 -0.714 . . . . 71.13 110.661 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.55 -48.68 80.72 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.339 1.056 . . . . 74.44 110.664 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.7 -37.31 70.68 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.958 0.786 . . . . 72.12 111.322 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.86 -35.94 82.73 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 123.461 0.476 . . . . 74.31 112.099 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -76.95 -13.3 59.99 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.111 0.564 . . . . 74.12 112.072 176.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.54 15.78 25.43 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.538 0.335 . . . . 74.11 110.904 173.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.0 t70 77.86 -4.59 2.22 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 126.001 1.72 . . . . 72.21 112.555 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -87.71 140.02 31.41 Favored Pre-proline 0 C--N 1.322 -0.608 0 O-C-N 121.376 -0.828 . . . . 75.31 111.121 -175.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -71.85 126.13 11.66 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 121.692 1.594 . . . . 74.32 110.105 164.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.42 ' HD2' ' CE2' ' A' ' 74' ' ' TYR . 50.3 t80 -80.72 136.11 36.11 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.514 -0.55 . . . . 73.24 109.514 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -125.43 124.85 42.34 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.79 -0.641 . . . . 75.32 110.098 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.9 t -147.62 140.65 25.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.17 0.509 . . . . 53.21 110.256 173.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -104.83 8.06 34.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.591 -0.731 . . . . 73.21 110.933 178.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.47 166.79 16.04 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.325 -0.991 . . . . 74.03 108.325 174.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 6.3 p-90 -67.53 153.15 44.36 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-O 121.022 0.439 . . . . 74.02 111.047 -175.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.92 -23.74 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-O 121.029 0.442 . . . . 62.21 111.363 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.494 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 0.9 OUTLIER -130.89 125.64 34.06 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 109.618 -0.512 . . . . 75.34 109.618 -169.873 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' A' ' 30' ' ' PHE . . . -127.41 106.66 9.35 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 123.288 0.368 . . . . 73.32 110.695 174.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.26 106.1 19.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 109.557 -0.535 . . . . 73.13 109.557 176.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -101.69 132.31 47.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.452 -0.573 . . . . 73.23 109.452 176.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.1 t -137.75 134.76 35.67 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.019 -0.991 . . . . 71.32 109.882 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.511 ' HA ' ' O ' ' A' ' 66' ' ' THR . 9.1 mp -79.43 111.33 15.58 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.314 -0.624 . . . . 73.52 109.314 171.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -103.85 97.78 7.73 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.249 -1.019 . . . . 74.31 108.249 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.09 -89.96 1.39 Allowed Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.312 -1.115 . . . . 65.41 110.312 -168.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -133.68 -6.52 2.84 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 122.497 0.319 . . . . 73.43 111.419 175.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.511 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 15.0 t -95.28 145.1 25.32 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 121.081 0.467 . . . . 74.42 111.788 -173.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -90.09 101.16 13.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.337 0.589 . . . . 74.11 109.65 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -97.56 115.13 27.26 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.046 -0.979 . . . . 72.21 109.248 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -117.26 133.12 56.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.639 -0.71 . . . . 71.31 110.62 -176.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 20.7 m-90 -112.97 123.63 50.77 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.467 -0.938 . . . . 75.25 108.467 171.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 15.3 mtm180 -116.82 124.88 50.63 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-O 121.657 0.741 . . . . 73.24 111.071 176.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -110.35 150.02 29.39 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-N 114.15 -1.386 . . . . 74.24 110.428 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.8 p -78.11 164.76 24.72 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 124.196 0.935 . . . . 64.25 110.001 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.42 ' CE2' ' HD2' ' A' ' 50' ' ' PHE . 91.0 t80 -66.03 -39.94 90.61 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.923 0.764 . . . . 54.43 112.08 -175.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -76.68 -18.29 58.63 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 112.766 0.654 . . . . 73.14 112.766 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.38 -32.28 71.21 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 123.437 0.461 . . . . 73.32 110.607 170.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.0 t -76.39 -28.13 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 123.434 0.694 . . . . 74.41 110.804 172.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.4 mmt -67.15 -42.69 83.94 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 122.471 0.308 . . . . 75.24 111.37 175.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -90.48 7.69 37.6 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 123.563 0.54 . . . . 75.55 112.454 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.05 124.76 21.43 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 123.514 0.509 . . . . 72.05 111.01 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.425 ' OE1' ' HD3' ' A' ' 90' ' ' ARG . 36.2 mt-10 -92.5 122.13 64.97 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.044 -0.98 . . . . 71.13 110.686 -171.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -70.89 115.04 4.08 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 122.272 1.981 . . . . 72.42 111.667 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -74.88 172.75 11.68 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.491 -0.777 . . . . 75.05 110.529 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.08 -4.93 41.41 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.752 -0.658 . . . . 73.33 112.38 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -76.54 -23.98 53.62 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.961 0.504 . . . . 73.2 111.231 173.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.45 -15.13 36.78 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 115.054 0.781 . . . . 74.33 115.054 176.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -120.68 -10.25 9.22 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 117.874 0.837 . . . . 73.14 109.543 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.5 t -99.03 146.92 25.55 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.402 -0.817 . . . . 74.4 110.601 -174.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -131.57 142.09 49.83 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.578 -0.737 . . . . 73.54 110.462 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.425 ' HD3' ' OE1' ' A' ' 81' ' ' GLU . 34.3 ttt180 -97.1 107.16 19.63 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.845 -0.798 . . . . 73.42 108.845 171.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.89 100.23 13.12 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.448 -0.945 . . . . 70.41 108.448 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 t -91.09 129.31 37.1 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.873 0.844 . . . . 72.11 109.697 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.4 p -129.72 178.97 6.11 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.224 -1.353 . . . . 63.01 109.031 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.76 -12.62 84.28 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.939 -0.648 . . . . 44.5 111.636 169.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -78.51 -45.76 21.19 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 123.27 0.628 . . . . 72.11 110.008 174.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.24 -113.14 0.52 Allowed Glycine 0 N--CA 1.447 -0.588 0 O-C-N 123.39 0.431 . . . . 63.35 112.17 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.4 136.77 17.66 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 123.694 0.798 . . . . 73.35 109.967 -173.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -139.72 122.97 16.98 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.722 -0.672 . . . . 73.33 109.804 -175.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.613 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 18.6 tt0 -83.69 103.53 13.07 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.705 -0.622 . . . . 75.21 111.36 -178.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 32.5 mt -92.17 111.0 22.39 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.12 -0.632 . . . . 74.51 109.51 176.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -114.7 115.64 27.41 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-O 121.072 0.463 . . . . 74.34 110.132 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 23.2 m -83.43 131.04 35.05 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 114.925 -1.034 . . . . 75.33 110.276 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 25.2 mt -138.07 145.86 42.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.46 -0.791 . . . . 74.31 109.662 -178.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 82.0 167.04 38.79 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 121.194 -0.527 . . . . 71.31 114.19 172.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.434 ' HA ' ' O ' ' A' ' 16' ' ' THR . . . -146.28 86.17 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.199 0.523 . . . . 73.14 110.915 -177.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.6 t -121.82 -17.06 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-N 115.663 -0.699 . . . . 75.42 109.944 174.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.0 t 63.77 96.61 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.216 1.406 . . . . 72.23 111.55 -174.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -113.66 143.29 44.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.924 -0.58 . . . . 72.11 111.667 -173.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 69.3 m -116.99 -174.59 2.61 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.316 -0.856 . . . . 74.25 110.67 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -154.68 -136.04 2.17 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 120.275 -0.964 . . . . 73.54 114.32 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.402 ' H ' ' HB3' ' A' ' 31' ' ' GLU . 9.9 mt-10 67.01 39.74 3.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.067 1.347 . . . . 64.12 113.161 -173.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -87.8 90.36 8.35 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 106.82 -1.548 . . . . 64.41 106.82 165.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--O 1.243 0.711 0 CA-C-N 114.388 -1.278 . . . . 75.45 110.148 -166.131 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.972 0 N-CA-C 111.958 -0.457 . . . . 75.42 111.958 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.42 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 15.4 m -106.57 31.19 5.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.16 0.505 . . . . 70.45 112.037 -174.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -113.37 4.28 16.27 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.579 0.704 . . . . 74.01 109.609 172.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.8 ptm -73.61 122.0 21.58 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.428 -0.953 . . . . 72.33 108.428 170.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.93 -61.49 1.78 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.508 -0.769 . . . . 75.54 110.626 -172.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 62.08 26.72 16.11 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 124.258 1.023 . . . . 72.31 111.079 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 51.99 -117.68 1.18 Allowed 'General case' 0 C--N 1.348 0.529 0 CA-C-O 117.216 -1.374 . . . . 75.34 108.787 -165.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 38.96 68.24 0.37 Allowed 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.009 1.724 . . . . 74.04 113.892 164.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.525 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 95.9 m-85 -77.77 150.36 34.35 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.661 -1.154 . . . . 73.12 108.191 177.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' A' ' 89' ' ' TRP . 55.9 tp -61.9 -27.77 69.05 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 117.798 0.272 . . . . 73.11 110.866 176.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 tp -65.74 -35.83 81.84 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 123.532 0.52 . . . . 75.53 111.808 172.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.58 -32.67 62.46 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.022 0.529 . . . . 74.52 110.782 176.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 52.5 mm-40 -68.07 -40.26 82.76 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.702 0.626 . . . . 73.21 112.292 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 pp -75.07 -22.06 58.58 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.642 0.589 . . . . 73.32 111.969 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -71.3 -22.72 61.91 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.563 -0.744 . . . . 73.03 112.103 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.553 ' O ' ' HA ' ' A' ' 105' ' ' ALA . 4.3 p -123.62 27.91 7.18 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.861 -0.609 . . . . 71.44 110.709 -178.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.68 142.95 40.13 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.974 0.416 . . . . 73.03 111.857 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -99.12 -46.03 5.71 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 115.385 -0.825 . . . . 62.2 110.798 174.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.8 ttp -124.3 129.79 51.36 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.461 -0.57 . . . . 64.3 109.461 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.1 tp -114.15 125.13 53.6 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.274 -0.639 . . . . 73.11 109.274 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.448 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 10.3 tt0 -101.79 151.09 22.47 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.993 -1.003 . . . . 74.22 111.141 -172.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.535 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 23.9 mt -124.85 96.83 4.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 123.471 0.708 . . . . 73.31 109.814 169.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 t70 49.98 63.88 2.01 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.501 1.52 . . . . 64.41 113.009 174.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.01 -23.19 6.11 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 115.478 -0.783 . . . . 74.05 114.423 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 tt -105.21 107.57 18.63 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.06 -1.089 . . . . 75.12 108.06 -177.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 48.5 p-80 -78.96 143.37 35.82 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.697 -0.801 . . . . 73.34 110.762 -177.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.07 134.18 35.03 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.195 -1.039 . . . . 75.21 108.195 173.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.1 p-90 -73.17 -26.83 61.33 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.762 0.315 . . . . 74.42 110.758 -174.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -139.01 140.33 38.13 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.363 -0.606 . . . . 74.44 109.363 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -141.01 144.63 35.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.201 0.524 . . . . 73.13 109.621 173.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -127.38 139.54 52.78 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.744 -0.662 . . . . 74.12 110.095 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.5 mt -102.66 139.03 38.78 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.835 -1.075 . . . . 74.13 108.292 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.572 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 49.5 t-20 -79.46 89.71 5.04 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 108.172 -1.047 . . . . 73.13 108.172 172.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.78 -21.71 57.13 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 123.909 0.756 . . . . 75.12 111.985 -170.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -70.24 -40.44 74.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.99 0.806 . . . . 71.03 110.297 174.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.9 tp -76.5 -26.78 55.63 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.815 -0.63 . . . . 53.11 111.06 177.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 25.5 mt -84.07 -17.14 41.26 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.744 0.307 . . . . 75.34 111.664 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.83 -34.46 71.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.494 -0.776 . . . . 72.55 109.316 171.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -83.75 -28.69 28.02 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 114.761 -1.109 . . . . 74.3 111.133 177.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.1 81.81 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.03 0.443 . . . . 74.25 110.825 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -77.09 -35.02 56.82 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 114.889 -1.05 . . . . 74.21 110.336 177.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.8 -45.16 93.19 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.083 0.953 . . . . 74.4 110.703 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.06 93.13 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.455 -0.793 . . . . 74.12 111.278 178.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.61 68.18 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.466 0.543 . . . . 72.53 112.466 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -70.47 -32.22 69.67 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.152 0.581 . . . . 74.44 110.835 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.19 8.7 31.69 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.858 -0.61 . . . . 52.12 112.375 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t70 68.38 24.93 7.1 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.664 1.186 . . . . 53.33 111.378 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -107.62 137.93 19.84 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.539 -0.755 . . . . 74.44 109.985 -177.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.27 124.62 7.93 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.112 1.875 . . . . 75.54 111.444 173.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -94.89 134.8 37.14 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.704 -0.48 . . . . 74.31 109.704 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.72 131.16 18.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.462 -0.79 . . . . 61.01 109.31 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 71.1 m -145.89 132.73 20.1 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 121.11 0.481 . . . . 70.45 111.311 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -82.08 -1.46 48.63 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.871 -0.604 . . . . 73.21 111.947 175.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.78 163.86 27.4 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 109.597 -0.52 . . . . 73.34 109.597 171.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.3 p-90 -72.27 151.89 42.51 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.742 0.417 . . . . 74.13 110.834 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.6 p -131.13 -26.35 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.02 0.438 . . . . 65.42 110.91 172.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.71 129.42 47.09 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.346 -0.388 . . . . 73.51 110.878 -175.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -129.3 100.85 5.74 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.828 0.823 . . . . 75.11 109.547 171.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.412 HG21 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -103.12 126.93 57.37 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 114.108 -1.405 . . . . 73.23 108.721 -179.619 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -121.99 144.5 48.85 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.297 0.57 . . . . 71.02 110.912 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 t -140.72 119.54 12.57 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.076 -0.965 . . . . 64.41 109.611 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.481 ' HA ' ' O ' ' A' ' 66' ' ' THR . 6.3 mp -89.09 106.49 18.47 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.963 -0.695 . . . . 75.35 109.595 174.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -105.07 107.6 18.67 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.992 -1.114 . . . . 72.02 107.992 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.94 -93.82 1.19 Allowed Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.17 -1.172 . . . . 72.43 110.17 -169.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -130.83 -16.02 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 122.792 0.437 . . . . 74.51 110.971 173.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.481 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 6.1 t -77.28 135.41 38.42 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.409 0.623 . . . . 74.35 110.944 -173.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 63.2 ttt-85 -95.81 105.66 17.7 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.906 -0.588 . . . . 74.14 109.518 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.96 112.73 24.79 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.695 -0.684 . . . . 75.41 109.16 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -113.43 126.06 54.92 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.092 0.472 . . . . 62.42 109.746 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.412 ' HB2' HG21 ' A' ' 59' ' ' VAL . 8.9 m-90 -108.18 123.22 48.41 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.063 -0.971 . . . . 73.02 108.504 172.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -111.45 117.33 32.74 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.903 -0.777 . . . . 75.03 108.903 174.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -104.27 138.94 39.98 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.925 -1.034 . . . . 72.44 109.725 -177.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.4 m -72.95 156.81 38.47 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.937 0.773 . . . . 75.52 110.307 176.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -64.85 -36.22 83.64 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.128 -0.487 . . . . 73.54 110.573 175.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -66.82 -30.51 70.72 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.034 -0.985 . . . . 73.34 110.825 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.56 -24.39 53.57 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 123.684 0.615 . . . . 73.12 111.815 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.5 t -82.18 -25.88 9.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.236 0.614 . . . . 72.41 110.877 175.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.8 mmt -71.85 -33.76 68.71 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.124 -0.489 . . . . 73.52 111.499 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -91.84 4.17 53.48 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.519 0.563 . . . . 72.12 112.519 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.48 115.37 4.18 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.949 0.404 . . . . 72.41 111.915 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.42 ' HB3' ' HB3' ' A' ' 2' ' ' SER . 50.3 mt-10 -85.23 123.85 72.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 114.869 -1.06 . . . . 72.21 111.61 -168.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -63.37 117.0 3.96 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 123.08 2.52 . . . . 73.15 113.34 175.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -75.94 170.4 16.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.981 -0.554 . . . . 74.1 109.771 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.01 -7.13 53.94 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.815 -0.63 . . . . 61.51 111.364 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -74.95 -25.7 59.07 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.127 -0.942 . . . . 75.0 110.402 171.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.58 -19.14 5.1 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 115.339 0.895 . . . . 73.04 115.339 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -112.53 -16.25 12.9 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 118.118 0.959 . . . . 74.21 110.598 177.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.4 m -96.17 143.31 27.4 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.566 -0.743 . . . . 73.43 110.451 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.489 ' CD1' HD11 ' A' ' 10' ' ' LEU . 62.1 m95 -129.89 130.43 45.17 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 115.03 -0.986 . . . . 71.4 109.642 -174.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -84.09 104.9 14.53 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.135 -0.691 . . . . 70.4 109.135 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.42 99.18 11.98 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 108.236 -1.024 . . . . 71.45 108.236 178.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.6 p -83.42 133.34 34.93 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-O 121.362 0.601 . . . . 71.44 110.257 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.3 p -131.67 -178.72 4.99 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.73 -1.123 . . . . 72.34 109.491 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.3 -13.65 82.63 Favored Glycine 0 C--O 1.222 -0.61 0 N-CA-C 111.878 -0.489 . . . . 73.11 111.878 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -85.98 -41.66 14.69 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 122.881 0.473 . . . . 74.32 110.944 175.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 171.18 -116.01 0.61 Allowed Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.929 -0.653 . . . . 61.01 112.825 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -155.48 121.65 5.16 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 122.939 0.496 . . . . 73.21 111.003 -176.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -109.34 164.36 12.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.57 -0.741 . . . . 74.21 110.579 -176.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.535 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 24.8 tt0 -111.05 104.2 12.74 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.054 -0.521 . . . . 73.34 109.722 173.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 32.8 mt -92.86 116.78 29.35 Favored 'General case' 0 C--O 1.21 -1.026 0 N-CA-C 109.105 -0.702 . . . . 72.51 109.105 175.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -121.2 121.89 38.77 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 121.521 0.677 . . . . 75.22 110.651 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 3.3 p -83.72 116.13 22.52 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.233 -1.349 . . . . 73.04 111.467 -176.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.3 mt -119.88 132.44 55.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.059 -0.973 . . . . 72.25 110.277 -176.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 85.52 -172.45 46.74 Favored Glycine 0 C--O 1.228 -0.265 0 C-N-CA 120.851 -0.69 . . . . 42.54 114.146 176.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.553 ' HA ' ' O ' ' A' ' 16' ' ' THR . . . -149.12 113.39 5.23 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 122.613 0.365 . . . . 63.34 111.326 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.4 p -173.69 178.24 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 N-CA-C 106.442 -1.688 . . . . 64.55 106.442 175.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.3 m 78.29 170.55 0.2 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.32 1.448 . . . . 72.14 112.81 169.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -171.63 167.17 6.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.635 -1.166 . . . . 72.0 108.536 170.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.2 p -115.92 145.14 43.16 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.197 0.523 . . . . 73.13 111.661 174.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 174.52 119.44 0.55 Allowed Glycine 0 N--CA 1.439 -1.12 0 CA-C-N 115.286 -0.87 . . . . 71.21 111.63 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -123.98 -44.87 2.03 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 118.897 -0.573 . . . . 73.41 112.115 -176.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 19.8 t70 61.91 100.37 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.099 1.36 . . . . 71.54 110.917 -173.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--O 1.256 1.433 0 CA-C-N 115.374 -0.83 . . . . 75.12 112.278 -179.44 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.163 0 N-CA-C 112.111 -0.396 . . . . 74.23 112.111 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 m -81.55 105.89 13.07 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 123.885 0.403 . . . . 74.13 111.236 -176.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.6 m80 68.8 21.42 7.71 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 125.108 1.363 . . . . 61.41 112.205 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.9 ptm -145.91 122.04 10.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.123 0.487 . . . . 73.51 110.451 -176.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.41 -46.59 7.59 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.923 -0.58 . . . . 74.41 110.095 174.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.5 m -77.1 103.41 7.02 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 108.028 -1.101 . . . . 72.2 108.028 169.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -70.13 -27.53 64.64 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.164 -0.926 . . . . 72.02 112.342 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 67.59 100.55 0.05 Allowed 'General case' 0 CA--C 1.499 -1.011 0 O-C-N 125.698 1.873 . . . . 74.34 109.067 -168.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -97.29 -177.92 4.0 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.102 -1.408 . . . . 64.44 107.203 169.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 89' ' ' TRP . 42.8 tp -66.83 -26.91 67.15 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.383 -0.527 . . . . 74.01 110.153 173.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.0 tp -56.65 -47.52 79.59 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 123.906 0.754 . . . . 74.42 111.783 172.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.81 -29.59 69.57 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.802 0.441 . . . . 74.05 111.574 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.498 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 9.8 mm-40 -88.11 -29.1 20.85 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.947 0.721 . . . . 71.01 112.947 -174.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 3.3 pp -77.2 -20.47 55.31 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.316 0.507 . . . . 73.25 111.177 174.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -66.28 -21.32 66.27 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 123.579 0.752 . . . . 73.33 112.621 172.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.6 p -124.86 4.49 8.08 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 112.599 0.592 . . . . 74.34 112.599 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.23 104.47 2.65 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.187 0.449 . . . . 71.02 111.347 -177.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -73.26 -44.75 58.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.744 0.783 . . . . 61.42 109.067 175.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 28.2 ttp -120.6 141.65 50.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.292 -1.322 . . . . 63.42 108.178 170.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.9 tp -125.19 138.82 54.13 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.789 -0.819 . . . . 74.24 108.789 176.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 10.2 tt0 -120.6 148.04 44.41 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.864 -0.791 . . . . 75.41 108.864 -176.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.472 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 17.5 tt -136.05 109.92 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-O 122.086 0.946 . . . . 75.13 111.264 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 60.69 40.28 16.54 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 125.018 1.327 . . . . 74.54 111.52 176.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.01 3.13 88.0 Favored Glycine 0 CA--C 1.526 0.781 0 CA-C-N 115.934 -0.575 . . . . 63.23 113.75 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 tt -121.82 115.21 22.22 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.798 -1.186 . . . . 74.52 107.798 -176.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -70.95 146.57 49.4 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 120.942 -0.303 . . . . 72.44 111.044 -176.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.77 155.06 29.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 75.24 109.857 174.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -97.32 -29.95 13.24 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.66 -0.867 . . . . 75.15 108.66 173.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -149.65 159.01 44.68 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.091 -0.707 . . . . 74.45 109.091 169.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -148.28 149.53 32.02 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.282 -0.636 . . . . 75.24 109.282 169.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -124.58 140.47 52.91 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.866 -0.606 . . . . 72.01 110.506 -175.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 88.4 mt -106.28 152.29 23.71 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.72 -0.474 . . . . 65.12 109.72 174.091 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.428 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.9 t-20 -77.89 94.33 4.54 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 106.981 -1.488 . . . . 73.22 106.981 170.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.96 -42.57 84.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.142 -1.39 . . . . 74.4 111.405 -169.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -61.66 -39.22 90.61 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 124.79 1.306 . . . . 65.23 112.229 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.1 tp -72.54 -25.27 61.31 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 122.493 0.317 . . . . 70.54 111.289 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 73.8 mt -84.02 -20.84 32.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.368 -0.378 . . . . 74.52 111.584 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -69.4 -36.72 77.01 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 109.785 -0.45 . . . . 51.54 109.785 167.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -77.72 -27.87 50.73 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.736 0.647 . . . . 74.53 111.738 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.1 -39.55 68.84 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 122.976 0.51 . . . . 71.31 111.295 177.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -74.22 -33.89 63.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.32 -0.854 . . . . 64.31 110.708 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.05 -43.27 96.03 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.005 0.922 . . . . 64.13 110.847 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.85 -39.88 87.74 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.502 -0.772 . . . . 74.42 110.971 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.38 -32.87 74.53 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 123.415 0.447 . . . . 75.23 112.011 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.35 -24.33 62.07 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.079 0.552 . . . . 74.25 111.967 173.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.41 9.99 36.16 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.111 0.411 . . . . 72.0 112.111 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 64.18 37.09 9.08 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 125.126 1.37 . . . . 72.13 111.066 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -117.06 135.28 23.03 Favored Pre-proline 0 C--N 1.312 -1.027 0 CA-C-N 114.956 -1.02 . . . . 73.35 109.233 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -75.13 124.22 8.38 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.4 1.4 . . . . 72.01 110.291 168.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -87.79 130.41 34.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 109.48 -0.563 . . . . 73.32 109.48 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.37 122.67 21.74 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.589 -0.732 . . . . 72.14 109.521 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -137.35 140.6 41.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.337 -0.392 . . . . 75.43 110.052 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -94.97 9.58 38.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.784 0.326 . . . . 71.3 110.913 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -78.18 162.4 26.63 Favored 'General case' 0 C--N 1.343 0.283 0 N-CA-C 108.778 -0.823 . . . . 74.34 108.778 174.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -65.38 151.66 45.75 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 123.599 0.562 . . . . 73.11 109.63 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 32' ' ' LEU . 8.2 p -135.28 -18.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 O-C-N 122.25 -0.281 . . . . 72.11 111.039 175.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.6 tp -150.85 113.86 4.78 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 121.568 0.699 . . . . 75.51 111.697 -172.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.4 106.03 16.37 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 114.596 -1.183 . . . . 70.31 108.742 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.1 t -99.09 109.4 24.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.383 -0.969 . . . . 74.24 108.383 -174.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -111.09 126.27 54.65 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.979 0.895 . . . . 64.04 110.985 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.9 m -130.94 159.27 37.94 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.698 -1.137 . . . . 75.45 109.141 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.5 mt -112.2 106.28 14.83 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.439 -0.578 . . . . 74.5 109.439 173.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -95.54 94.4 7.75 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 122.261 1.029 . . . . 75.41 110.23 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.75 -96.14 2.17 Favored Glycine 0 N--CA 1.434 -1.489 0 N-CA-C 108.687 -1.765 . . . . 73.14 108.687 -177.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 25.15 2.11 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 122.226 1.013 . . . . 73.04 108.366 166.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -95.85 127.59 42.0 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 114.025 -1.443 . . . . 71.53 109.31 176.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -91.19 108.5 19.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.313 -0.625 . . . . 71.55 109.313 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -117.71 120.53 38.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.965 -1.016 . . . . 74.21 110.258 -172.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -125.71 129.21 49.08 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 120.98 0.419 . . . . 72.3 110.172 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 17.9 m-90 -107.38 122.21 46.13 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.326 -0.852 . . . . 73.42 109.118 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -102.05 120.59 40.68 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.375 0.607 . . . . 73.44 110.018 175.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -108.41 142.91 38.06 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.624 -1.171 . . . . 74.52 109.38 178.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 98.4 p -85.29 166.73 16.24 Favored 'General case' 0 N--CA 1.443 -0.819 0 O-C-N 123.964 0.79 . . . . 71.43 109.714 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -64.1 -36.19 83.23 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.724 -0.671 . . . . 73.24 110.298 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.45 -35.92 81.48 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 112.042 0.386 . . . . 74.51 112.042 177.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.9 -35.78 74.9 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 123.577 0.548 . . . . 71.22 112.428 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.6 m -78.01 -18.7 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 112.174 0.435 . . . . 75.53 112.174 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.9 mmt -76.88 -37.0 56.33 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 122.527 0.331 . . . . 70.05 111.115 173.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -100.84 1.94 40.57 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.486 0.55 . . . . 63.33 112.486 -178.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.25 125.68 23.83 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 123.043 0.537 . . . . 74.42 110.883 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -75.61 120.78 83.21 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.594 1.184 . . . . 75.43 111.352 -162.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -62.7 117.64 4.53 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.615 2.21 . . . . 72.25 111.41 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -89.0 162.56 15.98 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.787 -0.642 . . . . 74.55 109.323 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.89 -6.69 48.76 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.605 0.594 . . . . 73.51 112.605 -176.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.8 -24.2 61.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.482 0.713 . . . . 71.51 110.879 175.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.27 -14.97 31.12 Favored Glycine 0 C--N 1.346 1.095 0 N-CA-C 114.308 0.483 . . . . 63.22 114.308 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -120.68 -14.42 8.59 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.663 -0.495 . . . . 75.42 109.663 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 63.6 m -98.14 148.38 23.62 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.713 -0.676 . . . . 73.44 111.689 -177.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.505 ' CD1' HD11 ' A' ' 10' ' ' LEU . 54.0 m95 -135.34 146.71 48.68 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 114.718 -1.128 . . . . 73.1 108.279 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -109.76 113.03 25.44 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 120.065 -0.654 . . . . 72.42 110.44 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.72 97.97 11.34 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 114.75 -1.114 . . . . 62.04 108.229 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.1 m -98.76 109.89 22.58 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.267 -1.012 . . . . 74.44 108.267 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.3 p -112.77 -171.63 1.9 Allowed 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 113.542 -1.663 . . . . 73.21 109.081 -173.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.45 -13.26 83.73 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.891 -0.671 . . . . 71.23 112.245 174.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -99.83 -2.1 35.84 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.571 0.349 . . . . 63.23 111.894 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.73 -131.56 4.52 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 120.773 -0.727 . . . . 72.42 113.196 173.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.69 114.67 4.7 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.587 0.755 . . . . 75.23 109.492 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -118.69 118.11 30.75 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.292 0.637 . . . . 72.24 110.075 -172.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 24.7 tt0 -86.54 105.34 16.76 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-O 121.022 0.439 . . . . 74.12 111.797 -175.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.405 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 24.9 mt -91.37 111.2 22.59 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.423 0.63 . . . . 72.24 110.644 178.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -112.38 121.98 46.41 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 114.941 -1.027 . . . . 62.14 110.003 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 9.4 p -82.56 131.94 35.2 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.557 -0.747 . . . . 70.13 109.763 177.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.8 mt -129.57 99.85 5.32 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.261 -0.881 . . . . 74.31 109.441 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.66 169.42 16.97 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.573 -0.822 . . . . 61.43 111.962 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.38 32.29 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.788 0.328 . . . . 75.12 111.108 -173.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.2 t -120.94 94.92 3.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 110.073 -0.343 . . . . 62.14 110.073 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.8 m -143.11 138.84 30.13 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 120.938 0.399 . . . . 74.14 110.457 169.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -125.68 23.73 7.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.819 -0.628 . . . . 75.02 110.656 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.5 p -79.28 173.33 12.69 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.999 -0.546 . . . . 62.51 111.15 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.77 57.57 4.09 Favored Glycine 0 C--N 1.332 0.337 0 N-CA-C 111.199 -0.76 . . . . 74.51 111.199 -172.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -79.85 -79.57 0.14 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.979 -0.61 . . . . 70.01 109.856 -173.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -160.65 -79.04 0.05 Allowed 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 107.853 -1.166 . . . . 63.25 107.853 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 . . . . . 0 C--O 1.244 0.784 0 CA-C-O 118.052 -0.975 . . . . 73.34 108.97 171.509 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 112.244 -0.343 . . . . 73.43 112.244 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 p -100.39 44.15 1.03 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.897 0.38 . . . . 51.23 112.022 -176.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -70.32 -41.71 72.9 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.765 -0.457 . . . . 74.14 109.765 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 67.1 mtt -70.72 121.82 18.67 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 108.299 -1.0 . . . . 75.21 108.299 167.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 p -70.14 -55.19 10.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 119.141 -0.457 . . . . 74.32 111.151 -177.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t 42.17 42.32 2.42 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.312 1.845 . . . . 71.12 112.442 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -86.16 -26.09 25.35 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.298 -1.319 . . . . 72.45 109.965 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.1 mtt85 68.76 98.35 0.06 Allowed 'General case' 0 C--N 1.351 0.661 0 O-C-N 124.991 1.432 . . . . 75.44 110.839 -177.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -98.1 169.06 9.87 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.167 -1.379 . . . . 74.5 108.038 173.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.527 HD11 ' CD1' ' A' ' 89' ' ' TRP . 51.1 tp -69.75 -29.08 66.35 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.529 -0.545 . . . . 72.24 109.529 169.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.1 tp -57.65 -44.5 85.69 Favored 'General case' 0 C--O 1.221 -0.423 0 O-C-N 123.894 0.746 . . . . 74.2 111.44 171.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -66.99 -36.32 81.9 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.038 -0.528 . . . . 62.14 111.255 177.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.08 -41.9 60.99 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 113.649 0.981 . . . . 73.12 113.649 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 2.9 pp -68.7 -21.52 64.41 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 112.705 0.632 . . . . 75.23 112.705 -175.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.59 -43.03 93.83 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.947 0.899 . . . . 74.2 112.439 177.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 105' ' ' ALA . 13.3 p -107.08 -19.96 13.45 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 112.769 0.655 . . . . 74.14 112.769 -175.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.15 133.26 54.87 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.394 0.678 . . . . 74.23 112.454 -176.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -91.12 -54.35 3.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.725 0.774 . . . . 74.52 109.954 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.4 ttp -108.86 137.4 46.85 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.726 -1.124 . . . . 74.13 109.272 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mt -122.6 143.02 50.02 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.803 -0.443 . . . . 75.24 109.803 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.537 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 74.9 mt-10 -109.09 154.8 21.76 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.659 -0.867 . . . . 74.5 108.659 172.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.465 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 12.0 tt -144.85 95.15 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-O 122.103 0.954 . . . . 75.24 112.183 173.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.439 ' HB2' ' H ' ' A' ' 99' ' ' GLN . 38.9 t70 52.03 59.2 4.71 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 113.989 -1.46 . . . . 65.31 111.641 178.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.65 -24.74 11.2 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-N 114.866 -1.061 . . . . 72.22 114.126 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.73 155.97 26.48 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 117.366 0.583 . . . . 73.35 110.18 176.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -119.73 112.74 19.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.4 -0.364 . . . . 75.13 110.88 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.65 115.3 19.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.634 -0.506 . . . . 74.24 109.634 174.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -77.9 -25.14 48.3 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.308 -0.86 . . . . 75.0 109.341 -178.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -149.53 167.54 25.99 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.693 -1.14 . . . . 73.11 108.411 176.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -158.04 151.36 23.25 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 123.706 0.628 . . . . 72.03 109.989 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -111.57 134.46 53.13 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.185 -0.672 . . . . 70.12 109.185 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.5 mt -104.36 150.86 24.12 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.285 -0.87 . . . . 72.2 110.675 176.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.562 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 51.0 t-20 -84.33 81.92 8.61 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.568 -1.271 . . . . 62.24 107.568 169.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -77.8 -17.95 56.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.283 -0.871 . . . . 73.31 112.238 -169.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -65.34 -44.8 86.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.137 -0.938 . . . . 74.13 109.769 170.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.2 tp -76.87 -25.18 52.8 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.327 -0.851 . . . . 71.02 111.462 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 69.1 mt -78.83 -28.62 44.44 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.252 0.464 . . . . 73.23 112.252 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.74 -43.07 99.77 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.782 0.676 . . . . 74.23 110.153 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -72.51 -27.6 62.36 Favored 'General case' 0 C--O 1.225 -0.235 0 O-C-N 124.286 0.991 . . . . 73.44 111.522 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.22 -46.11 78.37 Favored 'General case' 0 CA--C 1.518 -0.28 0 O-C-N 123.732 0.645 . . . . 62.33 111.496 178.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.15 -26.59 39.31 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.366 -0.833 . . . . 61.22 110.664 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.0 -50.51 73.1 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.308 1.043 . . . . 74.03 110.247 173.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.28 -35.87 78.52 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.567 -0.742 . . . . 64.14 111.29 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.66 75.25 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.534 0.568 . . . . 62.43 112.534 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.39 -32.13 71.98 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.041 -0.527 . . . . 75.24 111.299 171.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.62 7.65 16.71 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.394 0.678 . . . . 72.53 112.791 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.2 t70 70.37 23.22 5.04 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.103 1.361 . . . . 75.41 111.606 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -113.79 129.53 24.64 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.789 -0.641 . . . . 73.32 109.599 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -64.7 125.62 15.21 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.303 2.002 . . . . 73.44 111.613 173.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -93.93 125.97 38.87 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.884 -0.784 . . . . 74.54 108.884 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -140.24 119.19 12.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.692 -0.686 . . . . 75.51 109.814 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 74' ' ' TYR . 42.2 t -128.32 147.86 50.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.466 -0.788 . . . . 71.1 109.69 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -95.35 -4.0 46.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.234 -0.439 . . . . 71.25 111.089 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -74.28 164.49 26.54 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.55 -0.537 . . . . 73.03 109.55 176.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -67.29 159.95 28.16 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 123.231 0.332 . . . . 73.22 110.686 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.7 p -137.86 -31.01 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.854 0.359 . . . . 64.34 111.899 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.4 tp -140.67 124.21 16.93 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.11 0.481 . . . . 75.02 111.029 -172.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.1 107.41 13.01 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.187 -0.915 . . . . 73.14 108.871 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -100.1 126.57 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 120.923 0.392 . . . . 73.11 110.365 -176.546 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -110.41 115.77 30.25 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.601 0.715 . . . . 75.52 110.814 -177.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.7 m -122.62 134.02 54.52 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.651 -1.159 . . . . 74.43 108.671 173.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.5 mt -75.72 107.07 7.63 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.895 -0.779 . . . . 71.32 108.895 173.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -108.96 104.75 14.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.342 -0.844 . . . . 71.25 108.865 -179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.59 -115.13 3.96 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.276 -1.129 . . . . 75.41 110.276 -169.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -118.53 5.29 11.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.663 0.744 . . . . 75.31 109.313 170.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -92.63 141.79 28.09 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.556 -1.202 . . . . 71.34 110.523 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.468 ' HD2' ' H ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -91.39 98.95 12.01 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 122.3 1.047 . . . . 75.32 108.532 170.365 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -96.03 121.95 38.34 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.691 -1.141 . . . . 75.11 109.557 -171.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 30.1 tt0 -115.24 133.14 56.31 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.245 -0.889 . . . . 73.12 110.263 -176.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 19.8 m-90 -110.45 125.27 53.1 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.163 -0.68 . . . . 74.11 109.163 174.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -104.3 124.3 48.93 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.017 -0.992 . . . . 73.33 109.511 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -111.27 137.66 48.72 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.119 -0.946 . . . . 73.41 110.206 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.2 m -74.92 159.12 32.24 Favored 'General case' 0 N--CA 1.444 -0.743 0 O-C-N 124.199 0.937 . . . . 71.32 109.411 173.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.441 ' HB3' ' O ' ' A' ' 52' ' ' SER . 51.1 t80 -65.47 -37.67 87.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.231 -0.44 . . . . 72.3 111.192 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.01 -20.55 60.29 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.482 0.549 . . . . 62.12 112.482 176.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.96 -35.51 62.11 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.277 0.56 . . . . 75.2 110.784 173.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.8 t -74.7 -24.24 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 CA-C-N 115.926 -0.579 . . . . 72.14 111.195 175.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.8 mmt -71.11 -37.43 72.35 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.489 0.551 . . . . 73.24 112.489 173.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -88.81 6.49 38.72 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.181 0.437 . . . . 51.01 112.181 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.65 116.81 5.07 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.726 0.298 . . . . 74.43 111.61 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -80.21 125.05 82.26 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.303 -0.862 . . . . 63.43 111.512 -175.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -67.14 125.48 13.63 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 121.715 1.61 . . . . 73.14 110.61 171.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -82.24 176.47 9.44 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.661 -0.496 . . . . 72.42 109.661 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.25 -22.32 61.99 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.526 0.565 . . . . 71.13 112.526 -175.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -80.61 -21.05 41.91 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.662 -0.244 . . . . 50.13 111.515 174.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.84 -13.67 55.52 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 115.144 0.818 . . . . 73.42 115.144 173.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -99.03 -30.71 12.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.373 0.587 . . . . 73.4 110.112 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.0 m -88.55 143.35 27.02 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.652 -0.704 . . . . 63.35 110.529 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.527 ' CD1' HD11 ' A' ' 10' ' ' LEU . 60.4 m95 -125.78 129.79 50.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.447 -0.797 . . . . 74.41 109.048 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -88.12 103.69 15.98 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.398 -0.593 . . . . 74.32 109.398 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.71 100.3 13.17 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 114.932 -1.031 . . . . 74.11 108.339 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.8 p -91.12 128.0 36.77 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.068 -0.969 . . . . 74.43 108.978 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 37.8 p -128.34 -173.82 3.05 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.379 -0.828 . . . . 63.45 110.79 -171.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.5 -19.17 76.71 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.592 -0.603 . . . . 43.0 111.592 169.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -77.81 -41.3 37.64 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.073 0.549 . . . . 72.34 111.621 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.32 -117.08 0.75 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.204 -0.522 . . . . 41.51 112.182 -176.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -143.92 133.79 23.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.343 0.592 . . . . 72.41 110.64 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.428 ' HB3' ' CG1' ' A' ' 22' ' ' ILE . 86.6 m-85 -131.42 128.97 40.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.053 -0.976 . . . . 70.41 108.939 -177.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.465 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 22.5 tt0 -95.91 101.79 13.51 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.321 -0.552 . . . . 74.25 110.189 -176.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.537 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 41.6 mt -92.49 109.84 21.24 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.058 -0.519 . . . . 75.42 109.809 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -112.75 118.08 34.0 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.475 0.655 . . . . 75.3 110.147 177.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.6 p -83.13 124.45 30.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.391 -1.277 . . . . 64.04 111.243 -177.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 75.0 mt -128.1 130.42 48.14 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.12 -0.945 . . . . 64.31 109.577 -176.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 81.91 164.17 33.31 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.309 -0.948 . . . . 71.43 113.16 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 16' ' ' THR . . . -144.64 81.43 1.66 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.197 0.522 . . . . 72.52 110.517 -177.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 69.8 t -130.53 98.04 3.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-N 115.602 -0.727 . . . . 73.21 109.452 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 t 58.73 -157.41 0.32 Allowed 'General case' 0 N--CA 1.48 1.036 0 O-C-N 124.816 1.322 . . . . 74.14 112.075 168.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -132.46 -163.38 1.33 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.515 -0.55 . . . . 63.22 109.515 172.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.7 m -68.84 -56.55 7.59 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.612 0.365 . . . . 72.04 111.738 -176.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.47 29.6 57.81 Favored Glycine 0 C--N 1.335 0.513 0 CA-C-N 116.207 -0.451 . . . . 54.41 112.156 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -99.0 2.32 46.21 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 122.87 0.468 . . . . 72.25 111.468 -174.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -84.23 -34.97 23.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.093 -0.503 . . . . 75.15 110.713 177.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 . . . . . 0 C--O 1.24 0.603 0 O-C-N 123.463 0.477 . . . . 73.01 110.893 -177.494 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.514 0 CA-C-O 119.721 -0.488 . . . . 73.44 112.262 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m 56.64 70.64 0.63 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.433 1.093 . . . . 73.43 111.117 -173.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.15 68.72 9.14 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.852 0.834 . . . . 70.01 110.878 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 92.4 mtp -131.11 109.12 10.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.551 -1.204 . . . . 74.52 108.116 178.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 p -78.57 -60.52 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 119.269 -0.396 . . . . 72.12 111.715 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 57.01 45.89 20.33 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 124.195 0.998 . . . . 71.42 109.148 -172.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 60.78 -104.28 0.17 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-O 116.965 -1.493 . . . . 71.55 107.406 -158.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? 31.27 61.06 0.26 Allowed 'General case' 0 C--N 1.368 1.374 0 C-N-CA 126.624 1.969 . . . . 72.22 114.473 167.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -86.09 171.93 10.98 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.006 -1.452 . . . . 74.3 107.412 174.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.453 HD11 ' CD1' ' A' ' 89' ' ' TRP . 62.9 tp -68.97 -28.37 66.56 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.337 0.971 . . . . 63.25 110.002 170.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.1 tp -63.59 -41.86 98.32 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.232 -0.895 . . . . 75.23 111.348 172.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.18 -29.46 60.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.67 -0.696 . . . . 71.32 110.992 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.459 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 3.0 mm-40 -68.86 -41.73 78.03 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 115.559 -0.746 . . . . 74.34 112.695 178.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 pp -72.66 -23.93 60.97 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.059 0.391 . . . . 63.42 111.683 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -66.98 -27.87 67.8 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.992 0.807 . . . . 72.03 111.955 172.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.708 ' O ' ' HA ' ' A' ' 105' ' ' ALA . 36.6 p -122.67 28.7 7.19 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 116.441 -0.345 . . . . 75.44 110.988 -178.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -104.43 148.14 26.76 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.751 -0.593 . . . . 74.41 110.988 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -110.47 -42.64 4.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.283 0.563 . . . . 74.23 110.366 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.9 ttp -124.77 129.34 50.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.102 -0.703 . . . . 63.11 109.102 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -115.11 128.38 56.18 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.313 -0.255 . . . . 75.14 110.313 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -104.64 148.52 26.45 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.929 -0.578 . . . . 71.13 109.726 172.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.521 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 15.5 tt -135.11 105.5 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 CA-C-O 122.328 1.061 . . . . 71.01 109.212 177.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 62.98 26.44 15.51 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 113.838 -1.528 . . . . 73.2 111.264 -173.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.23 -20.08 51.91 Favored Glycine 0 C--N 1.341 0.851 0 CA-C-N 116.147 -0.478 . . . . 75.11 112.746 -177.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.03 107.5 10.64 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.354 -0.61 . . . . 74.2 109.354 178.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -80.91 125.21 29.83 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.376 -0.53 . . . . 71.4 110.51 -176.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.41 135.14 44.18 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.373 -0.83 . . . . 74.12 109.712 174.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 29.1 p-90 -73.94 -28.94 61.75 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 109.166 -0.679 . . . . 75.31 109.166 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -159.03 139.66 12.52 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.222 -0.899 . . . . 75.13 109.217 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -119.47 163.03 17.87 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.452 -0.794 . . . . 63.1 109.216 171.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -132.76 136.25 46.22 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.013 -0.736 . . . . 73.23 109.013 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.1 mt -108.77 152.19 25.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.127 -0.488 . . . . 71.25 110.381 -176.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -86.88 85.18 7.25 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 107.824 -1.176 . . . . 73.25 107.824 171.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.22 -24.6 64.04 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 124.149 0.98 . . . . 75.0 112.681 -173.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -71.82 -39.44 69.82 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.993 0.808 . . . . 71.53 111.347 176.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 tp -79.39 -24.26 42.71 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.248 -0.433 . . . . 75.05 110.884 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.9 mt -82.34 -27.2 32.36 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.047 0.539 . . . . 74.22 111.432 176.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.18 -40.67 94.58 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.415 -0.811 . . . . 61.3 109.387 171.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -80.64 -19.52 45.14 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 115.018 -0.992 . . . . 71.04 112.009 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.76 -38.37 64.73 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 123.1 0.25 . . . . 60.44 110.785 175.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.29 -36.7 61.12 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.773 -0.648 . . . . 73.22 110.685 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.2 tt -56.29 -45.48 80.15 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.762 1.225 . . . . 74.32 110.725 172.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.95 73.05 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.394 -0.821 . . . . 63.13 111.792 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.96 74.59 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.208 0.447 . . . . 72.53 112.208 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -77.07 -22.15 53.31 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.665 -0.698 . . . . 73.12 111.625 174.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.64 9.67 33.81 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.888 -0.596 . . . . 72.42 111.945 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 66.86 25.97 9.41 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.795 1.238 . . . . 74.44 111.401 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -109.46 122.55 39.14 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.863 -0.608 . . . . 73.52 109.93 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -66.12 124.38 12.52 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.16 1.907 . . . . 72.24 110.673 168.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -100.72 124.23 46.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.038 -0.528 . . . . 75.13 109.916 -173.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -137.02 120.82 17.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.0 0.429 . . . . 71.21 110.163 175.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.5 t -127.88 147.85 50.46 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.832 -0.622 . . . . 75.14 110.051 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -99.23 2.38 45.6 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.424 -0.353 . . . . 73.51 110.881 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -74.36 165.97 24.28 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.802 -0.814 . . . . 74.31 108.802 174.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.425 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 12.3 p-90 -70.5 155.67 40.4 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 109.889 -0.411 . . . . 72.24 109.889 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.4 p -133.83 -24.15 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 121.077 0.465 . . . . 74.35 111.205 174.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.1 tp -145.37 117.8 8.51 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-O 121.409 0.623 . . . . 75.4 111.308 -171.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.05 108.92 20.23 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.846 -1.07 . . . . 71.41 108.837 172.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.9 t -100.86 116.68 44.85 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 N-CA-C 106.863 -1.532 . . . . 74.14 106.863 -176.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -123.2 130.95 53.45 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.591 -0.843 . . . . 75.24 111.897 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.6 t -137.95 158.72 43.77 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.717 -1.128 . . . . 73.22 109.711 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.4 mt -111.74 123.54 50.46 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.03 -0.359 . . . . 72.12 110.03 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -104.67 95.37 5.85 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.39 -0.368 . . . . 75.13 110.392 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.05 -89.75 0.89 Allowed Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 110.792 -0.923 . . . . 52.25 110.792 -175.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -129.48 -4.36 4.8 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.038 0.535 . . . . 74.24 111.154 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 t -95.69 170.62 9.2 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 122.019 -0.426 . . . . 75.05 110.036 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.03 128.96 49.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.94 -0.393 . . . . 74.34 109.94 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 -122.56 119.92 32.27 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.27 -0.423 . . . . 75.32 110.228 174.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.48 132.4 54.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.868 0.842 . . . . 64.11 109.531 171.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 14.7 m-90 -109.83 121.71 45.86 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 107.321 -1.363 . . . . 72.25 107.321 175.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -112.45 113.99 26.45 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.399 0.619 . . . . 73.35 109.906 -176.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -104.97 134.71 47.63 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.872 -1.058 . . . . 74.45 110.349 -176.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 81.9 p -74.48 160.81 30.45 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.071 -0.968 . . . . 74.52 110.133 175.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -60.66 -34.34 74.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.01 -0.995 . . . . 73.51 110.532 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.4 -37.02 74.4 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 123.878 0.736 . . . . 74.41 111.907 -178.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.15 -32.44 66.88 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.168 0.508 . . . . 53.54 111.994 178.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.7 t -76.41 -24.73 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 CA-C-N 115.592 -0.731 . . . . 75.23 111.181 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.87 -43.61 83.08 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 122.899 0.479 . . . . 72.25 111.839 174.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -92.13 9.58 32.94 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.639 0.607 . . . . 72.35 112.639 -175.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.87 133.1 54.18 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.669 0.747 . . . . 73.03 112.058 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.44 ' HB3' ' HB3' ' A' ' 90' ' ' ARG . 28.2 tt0 -93.54 123.94 58.67 Favored Pre-proline 0 C--N 1.316 -0.879 0 CA-C-N 114.092 -1.413 . . . . 72.12 111.146 -168.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -70.07 117.36 5.06 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.839 1.693 . . . . 74.23 111.418 175.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -82.58 173.24 12.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.742 -0.663 . . . . 73.53 111.174 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.52 -8.58 56.5 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.616 -0.72 . . . . 71.54 111.833 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -76.44 -24.07 53.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.076 0.551 . . . . 63.14 111.075 175.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.64 -15.14 26.7 Favored Glycine 0 C--N 1.339 0.724 0 N-CA-C 114.874 0.709 . . . . 71.05 114.874 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -123.44 -19.93 5.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.699 0.749 . . . . 72.12 110.428 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.6 m -93.42 145.25 24.63 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.756 -0.656 . . . . 74.42 111.133 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.453 ' CD1' HD11 ' A' ' 10' ' ' LEU . 75.8 m95 -125.76 140.44 52.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.778 -1.101 . . . . 75.23 109.555 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.44 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 63.9 ttt180 -92.63 108.05 19.68 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 109.243 -0.651 . . . . 65.13 109.243 175.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.06 100.12 13.03 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 107.924 -1.139 . . . . 75.54 107.924 175.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.8 t -92.04 123.18 35.21 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.005 -0.998 . . . . 70.42 109.059 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 76.5 p -122.79 -171.42 2.28 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.312 -0.858 . . . . 75.52 109.938 -176.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.56 -1.79 89.17 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 121.223 -0.513 . . . . 74.51 112.222 171.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -98.24 -48.86 4.92 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.311 -0.626 . . . . 71.23 109.311 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.79 -115.69 0.55 Allowed Glycine 0 C--N 1.34 0.76 0 C-N-CA 120.857 -0.687 . . . . 70.2 113.194 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -146.62 133.29 19.92 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.159 0.584 . . . . 75.41 110.546 -174.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -130.35 117.23 19.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.374 -0.83 . . . . 75.43 108.86 -177.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.521 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 11.9 tt0 -84.19 100.42 11.16 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.935 0.398 . . . . 74.32 110.735 -175.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.2 mt -93.35 109.06 20.62 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.153 0.501 . . . . 71.21 110.395 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -109.39 119.52 39.71 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.809 -0.632 . . . . 74.2 109.489 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.459 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 36.4 m -92.07 121.64 33.82 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 114.43 -1.259 . . . . 72.31 111.157 -174.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.3 mt -122.34 144.21 49.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.98 -1.009 . . . . 75.3 109.649 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 83.4 -172.29 50.65 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.101 -0.571 . . . . 64.45 113.03 175.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.708 ' HA ' ' O ' ' A' ' 16' ' ' THR . . . -156.11 58.9 0.58 Allowed 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.328 0.492 . . . . 75.41 112.328 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.54 93.33 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 O-C-N 122.169 -0.332 . . . . 75.11 110.579 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.56 108.87 2.99 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 122.92 0.488 . . . . 62.34 110.531 173.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -89.77 123.16 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.992 -0.744 . . . . 72.12 108.992 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.9 t -132.42 158.11 42.83 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.548 0.213 . . . . 71.35 111.234 -172.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 118.62 148.7 8.5 Favored Glycine 0 C--N 1.334 0.421 0 N-CA-C 111.52 -0.632 . . . . 55.31 111.52 -177.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -138.18 -58.5 0.65 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.584 0.957 . . . . 63.33 113.584 -175.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.5 t70 55.81 70.79 0.6 Allowed 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.394 1.059 . . . . 72.23 109.796 -164.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.778 -0.646 . . . . 75.21 110.194 -178.681 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 112.042 -0.423 . . . . 62.34 112.042 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 t -149.16 107.04 3.68 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.154 -0.684 . . . . 75.43 109.154 174.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -77.68 -17.46 57.64 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.268 -0.424 . . . . 75.51 110.519 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 94.0 mtp -66.68 107.23 2.06 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.838 -0.801 . . . . 74.14 108.838 172.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.5 p -94.78 -52.45 4.26 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 114.92 -1.037 . . . . 65.31 109.722 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.3 m -79.78 104.98 10.73 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 106.122 -1.807 . . . . 74.2 106.122 163.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -54.81 -59.47 4.68 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 124.948 1.405 . . . . 72.55 112.691 -173.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 59.75 78.0 0.29 Allowed 'General case' 0 C--N 1.343 0.292 0 O-C-N 125.112 1.507 . . . . 75.14 110.482 -174.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.445 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 78.1 m-85 -86.88 -172.81 4.17 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 107.799 -1.186 . . . . 73.33 107.799 168.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.496 HD11 ' CD1' ' A' ' 89' ' ' TRP . 56.8 tp -63.14 -27.47 69.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.588 -0.278 . . . . 73.12 110.593 172.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.5 tp -54.61 -49.91 69.34 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.414 1.086 . . . . 71.11 112.514 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.18 -28.34 61.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.296 -0.411 . . . . 64.32 110.891 -178.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 31.2 mm-40 -74.66 -37.72 62.65 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 115.63 -0.714 . . . . 72.42 112.662 -177.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 pp -69.51 -26.69 64.66 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.616 0.599 . . . . 74.23 112.616 -176.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -75.38 -20.82 58.75 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.608 -0.724 . . . . 72.22 111.85 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 p -119.72 11.52 11.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.537 0.569 . . . . 73.23 112.537 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.99 141.21 47.7 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 122.208 -0.308 . . . . 73.4 111.45 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.37 -22.22 15.14 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.653 -0.703 . . . . 73.44 109.989 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.433 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 42.5 mmm -118.35 132.02 56.29 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 114.748 -1.114 . . . . 72.34 108.805 -176.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.6 mt -121.71 118.81 30.02 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.169 -0.678 . . . . 75.23 109.169 168.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 36.0 tt0 -98.76 140.03 33.57 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.009 -0.996 . . . . 74.54 108.678 179.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 22.6 mt -126.6 102.61 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 123.827 0.705 . . . . 74.33 109.696 173.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 63.01 28.38 16.21 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 114.306 -1.315 . . . . 74.04 113.043 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.11 -21.36 46.16 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 120.954 -0.641 . . . . 75.42 112.847 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 tt -87.81 118.93 27.66 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.78 -0.822 . . . . 63.04 108.78 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -77.5 123.26 26.35 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.539 -0.755 . . . . 65.31 111.729 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.72 118.0 21.89 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 108.934 -0.765 . . . . 73.1 108.934 171.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.7 p-90 -78.15 -17.87 56.31 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.038 -0.528 . . . . 72.04 111.671 -174.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -148.05 136.22 21.26 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.801 -0.636 . . . . 71.12 109.353 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -139.76 161.95 36.32 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.129 -0.941 . . . . 74.33 109.816 172.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -134.47 137.2 43.74 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.271 -0.64 . . . . 71.24 109.271 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.4 mt -105.46 139.09 40.61 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 108.106 -1.072 . . . . 75.35 108.106 178.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.546 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 51.1 t-20 -76.78 98.64 4.87 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.834 -0.802 . . . . 75.43 108.834 176.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -73.94 -37.57 64.53 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.16 0.913 . . . . 71.25 112.071 -168.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -62.55 -39.49 93.8 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.891 0.744 . . . . 74.44 111.267 177.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.0 tp -76.14 -29.4 57.78 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.949 -0.569 . . . . 75.4 111.634 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 61.0 mt -78.39 -21.27 49.58 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.047 0.388 . . . . 75.23 112.047 178.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.29 -38.78 78.48 Favored 'General case' 0 C--O 1.225 -0.193 0 O-C-N 123.651 0.594 . . . . 71.2 109.83 172.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -77.36 -27.49 52.63 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.947 0.779 . . . . 75.02 111.027 178.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.33 -39.55 85.83 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.54 0.525 . . . . 74.13 111.345 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.39 -29.41 47.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.343 -0.844 . . . . 64.13 110.756 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.18 -46.04 82.42 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.7 0.8 . . . . 72.51 110.001 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.73 -31.86 61.96 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 115.832 -0.622 . . . . 72.23 111.422 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.35 87.4 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.535 0.198 . . . . 71.33 111.535 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -71.38 -19.54 62.26 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.467 0.543 . . . . 73.42 112.467 174.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.32 -3.12 58.61 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 119.249 -0.405 . . . . 74.31 111.909 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.7 t70 68.17 23.47 7.91 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 125.405 1.482 . . . . 72.31 111.47 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -108.51 135.62 20.0 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.56 -0.745 . . . . 73.22 109.067 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -67.06 125.8 14.17 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.466 2.111 . . . . 74.42 112.32 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -92.05 120.63 32.86 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.696 0.76 . . . . 75.35 110.839 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.34 131.98 54.51 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.45 -1.25 . . . . 75.54 109.379 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.8 t -151.68 139.48 19.87 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.349 -0.982 . . . . 73.51 108.349 175.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -113.11 14.62 19.55 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.15 0.5 . . . . 73.22 110.233 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.4 177.64 8.65 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.592 -0.731 . . . . 72.22 109.37 173.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.4 p-90 -73.44 149.24 42.53 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 109.915 -0.402 . . . . 72.44 109.915 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.36 -20.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.023 0.439 . . . . 71.31 110.707 172.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.02 132.13 41.5 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.562 -0.29 . . . . 73.03 110.659 -176.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.81 99.62 5.61 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.798 -0.816 . . . . 53.2 108.798 170.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.24 108.62 24.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.497 -0.774 . . . . 72.44 109.999 -177.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -100.2 132.51 45.52 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 122.342 1.067 . . . . 73.2 109.77 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.2 m -131.78 122.03 25.14 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 114.235 -1.348 . . . . 75.13 109.852 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 66' ' ' THR . 7.8 mp -108.35 103.52 12.69 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.211 -1.033 . . . . 75.43 108.211 173.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -102.85 98.31 8.32 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.998 -1.112 . . . . 74.43 107.998 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.23 -102.18 2.39 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.383 -1.087 . . . . 73.11 110.383 -168.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -139.54 45.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 75.14 110.686 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 10.7 t -107.19 126.47 52.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.429 0.633 . . . . 72.34 110.035 172.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -91.96 98.32 11.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.65 -0.705 . . . . 75.42 109.667 174.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -130.82 119.52 22.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.978 -0.555 . . . . 74.12 110.395 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -122.72 125.66 45.97 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.75 -0.659 . . . . 71.34 109.739 175.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 13.1 m-90 -95.62 125.06 39.95 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.48 -0.933 . . . . 74.43 108.48 174.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -110.15 112.0 23.71 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 109.039 -0.726 . . . . 74.03 109.039 176.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -101.5 140.64 35.51 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.489 -0.778 . . . . 75.25 109.052 -173.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.8 p -81.82 163.01 22.63 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.002 0.814 . . . . 73.12 110.917 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.402 ' O ' ' HG2' ' A' ' 78' ' ' MET . 72.0 t80 -63.93 -40.68 97.02 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.095 -0.957 . . . . 73.22 111.362 -178.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.72 -27.49 63.04 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.492 0.553 . . . . 72.43 112.492 -178.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.97 -27.81 63.02 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 123.724 0.64 . . . . 71.44 111.438 174.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 24.7 t -79.94 -27.51 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 123.918 0.887 . . . . 75.14 111.324 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 74' ' ' TYR . 95.2 mmm -79.1 -30.5 43.84 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 122.372 -0.205 . . . . 65.45 111.484 177.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -90.85 3.78 53.57 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 119.425 -0.321 . . . . 70.11 111.827 175.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.71 117.96 6.5 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 123.585 0.553 . . . . 74.34 110.758 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -85.68 129.09 56.15 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 114.524 -1.216 . . . . 63.21 110.697 -169.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -67.81 117.95 5.26 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 121.386 1.391 . . . . 75.04 111.969 176.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -85.88 179.19 7.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.446 -0.797 . . . . 74.03 109.597 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.94 -7.25 51.63 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.233 1.197 . . . . 64.31 114.233 -168.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -83.35 -22.01 32.97 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.484 0.183 . . . . 75.21 110.846 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.04 -15.52 21.24 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 116.213 -0.449 . . . . 74.24 113.578 -175.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -108.62 -26.74 10.22 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 109.408 -0.59 . . . . 72.12 109.408 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.1 m -84.4 140.73 31.34 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 114.704 -1.135 . . . . 74.31 110.968 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.496 ' CD1' HD11 ' A' ' 10' ' ' LEU . 66.0 m95 -126.39 142.3 51.58 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.014 -0.994 . . . . 73.12 108.766 177.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -88.76 111.45 22.02 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.742 -0.836 . . . . 74.53 108.742 174.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.26 101.29 12.91 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.332 -0.849 . . . . 74.45 108.754 176.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 p -83.57 125.72 32.08 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.196 -0.911 . . . . 62.13 110.321 178.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.8 p -130.55 -178.22 4.68 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.371 -0.832 . . . . 72.01 110.142 -176.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.39 -15.19 81.72 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.754 -0.538 . . . . 72.3 111.754 170.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -79.44 -32.64 42.8 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.324 0.65 . . . . 72.2 110.467 172.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 153.93 -110.7 0.46 Allowed Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.261 -0.495 . . . . 44.5 112.823 177.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -149.26 134.21 18.01 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.677 -0.861 . . . . 72.52 108.677 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -127.7 137.04 52.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.797 -0.446 . . . . 74.54 109.797 -176.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.504 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 18.8 tt0 -87.83 100.54 12.94 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.487 -0.56 . . . . 73.31 109.487 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 2.5 mt -95.05 108.99 21.09 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.809 -0.441 . . . . 73.25 109.809 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -115.92 125.95 53.26 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-O 121.492 0.663 . . . . 73.1 110.466 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 59.7 m -92.69 120.95 33.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.868 -1.06 . . . . 65.34 111.138 -175.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.433 ' HB2' ' HB2' ' A' ' 19' ' ' MET . 3.3 mt -126.13 171.58 10.74 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.724 -0.671 . . . . 75.22 109.514 -179.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -143.84 73.99 0.33 Allowed Glycine 0 N--CA 1.44 -1.043 0 C-N-CA 120.738 -0.744 . . . . 64.31 111.701 -176.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.99 8.27 26.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.208 0.528 . . . . 73.4 111.571 -174.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.6 t -115.62 -44.35 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.433 -0.803 . . . . 74.23 110.441 -176.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.4 m 59.15 94.63 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 O-C-N 125.556 1.785 . . . . 71.0 110.924 -170.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.56 80.38 7.93 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.549 -0.75 . . . . 73.52 111.773 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.6 p -144.68 78.54 1.57 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-N 114.675 -1.148 . . . . 70.13 108.681 172.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -98.46 -138.15 10.11 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.558 -0.746 . . . . 70.44 114.181 -170.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -115.03 14.58 17.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.327 -0.437 . . . . 62.23 111.277 -174.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -75.45 133.25 41.14 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.032 -0.531 . . . . 63.21 110.371 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 N--CA 1.48 1.036 0 C-N-CA 126.222 1.809 . . . . 74.31 112.111 -174.015 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 111.839 -0.504 . . . . 70.12 111.839 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m -83.37 93.33 7.73 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.442 0.639 . . . . 74.22 111.367 -177.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.68 -9.9 30.72 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.233 -0.894 . . . . 75.42 109.958 169.583 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -70.67 128.67 36.89 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 114.596 -1.184 . . . . 73.23 108.885 172.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 p -64.67 -34.63 78.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.903 0.752 . . . . 70.31 111.624 176.498 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.4 m 60.93 57.91 2.46 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.069 1.481 . . . . 73.35 110.339 175.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -78.47 78.49 4.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.717 -1.129 . . . . 74.23 109.504 166.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.43 ' O ' ' HH2' ' A' ' 89' ' ' TRP . 0.3 OUTLIER -119.72 62.56 0.82 Allowed 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 106.447 -1.686 . . . . 64.34 106.447 172.37 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -99.93 167.79 10.28 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 114.967 -1.015 . . . . 73.32 108.55 177.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 89' ' ' TRP . 47.6 tp -65.97 -30.5 71.08 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 117.825 0.284 . . . . 73.13 110.305 174.205 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.5 tp -65.7 -31.76 72.94 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.663 -0.699 . . . . 73.02 111.5 175.573 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -82.31 -30.4 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.925 0.393 . . . . 75.2 110.205 177.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -71.47 -37.25 71.36 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.48 -0.782 . . . . 65.31 113.02 -178.345 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -70.98 -21.11 62.35 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 120.941 0.4 . . . . 74.43 111.945 -178.444 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -67.48 -21.82 65.5 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.546 -0.752 . . . . 75.31 112.526 173.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -127.34 20.85 6.73 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.85 0.46 . . . . 74.02 111.478 178.177 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.31 140.94 38.46 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 120.639 -0.424 . . . . 72.21 110.635 179.211 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -106.48 -45.23 4.3 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.461 -0.791 . . . . 73.41 109.549 177.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 28.2 ttp -111.79 130.08 55.92 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.404 -0.816 . . . . 74.51 109.526 175.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.1 tp -121.53 126.4 49.1 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.721 -0.844 . . . . 73.43 108.721 176.576 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.659 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 30.1 tt0 -98.29 152.45 19.41 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.427 -0.806 . . . . 62.42 109.797 -177.431 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.488 ' CG1' ' HB3' ' A' ' 98' ' ' TYR . 15.5 tt -134.35 107.64 9.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 CA-C-O 121.699 0.762 . . . . 74.14 110.969 175.252 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 54.96 42.9 30.68 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.537 1.535 . . . . 73.43 111.984 175.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.0 -17.98 58.29 Favored Glycine 0 C--N 1.343 0.945 0 O-C-N 121.816 -0.553 . . . . 75.02 113.771 178.604 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tt -102.34 115.15 29.97 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.684 -0.858 . . . . 75.55 108.684 -177.584 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 42.8 p-80 -75.38 131.18 40.04 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.444 -0.502 . . . . 70.52 110.205 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.02 146.01 35.6 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.295 -0.632 . . . . 75.35 109.295 173.116 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 -79.88 -22.77 42.44 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 109.533 -0.543 . . . . 75.34 109.533 179.365 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -156.37 144.78 19.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.839 -0.618 . . . . 73.13 110.165 -176.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -129.7 151.04 50.73 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.72 -0.474 . . . . 72.43 109.72 165.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -122.33 144.49 48.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.943 -0.571 . . . . 74.24 110.128 -176.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.7 mt -113.69 140.16 48.46 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.464 -0.789 . . . . 74.52 110.609 -177.784 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.416 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 49.1 t-20 -82.29 91.4 6.77 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 108.546 -0.909 . . . . 72.23 108.546 171.586 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.42 -23.11 56.95 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.799 -0.637 . . . . 74.43 112.446 -172.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -68.39 -39.97 81.5 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 122.979 0.512 . . . . 75.41 110.9 172.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.3 tp -79.15 -25.39 42.87 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.036 -0.529 . . . . 75.23 111.009 178.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 79.2 mt -81.28 -18.66 45.1 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.518 -0.31 . . . . 75.21 111.575 177.038 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.05 -42.0 76.87 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.625 -0.88 . . . . 75.55 108.625 170.404 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -75.89 -22.28 56.29 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.282 -0.872 . . . . 72.5 111.711 178.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.6 -40.98 76.32 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.37 -0.377 . . . . 70.4 111.06 174.108 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -74.2 -31.9 62.84 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.882 -0.599 . . . . 71.23 110.076 177.148 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.71 -48.18 81.93 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.393 1.077 . . . . 71.44 110.973 178.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.58 79.81 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 123.479 0.487 . . . . 75.53 111.011 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.92 -25.62 63.75 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 120.922 0.391 . . . . 54.22 111.857 178.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -77.57 -18.49 56.86 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.028 0.531 . . . . 71.1 111.44 171.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.85 14.11 31.48 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 122.472 0.309 . . . . 74.42 111.586 176.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.7 t70 76.54 -1.46 2.88 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.295 1.438 . . . . 74.4 112.119 176.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -93.66 144.59 28.45 Favored Pre-proline 0 C--N 1.315 -0.907 0 O-C-N 121.349 -0.844 . . . . 75.34 111.416 -173.245 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.33 126.56 9.84 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 121.786 1.658 . . . . 74.12 110.42 166.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -78.81 132.54 36.9 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.475 -0.49 . . . . 74.13 110.155 178.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -136.67 119.85 16.67 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.101 -0.954 . . . . 75.0 109.418 177.499 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.2 t -136.27 149.46 48.48 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.587 -0.733 . . . . 71.12 109.066 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -108.69 12.3 25.89 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.967 0.413 . . . . 72.25 110.896 176.542 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.82 163.23 23.6 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 108.571 -0.9 . . . . 63.4 108.571 171.228 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 5.4 p-90 -65.58 151.39 46.56 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.292 0.37 . . . . 64.15 110.497 -178.382 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 p -137.7 -22.6 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 120.444 -0.502 . . . . 71.41 111.428 173.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -137.36 122.13 18.71 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.822 -0.436 . . . . 74.43 109.822 -172.365 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.81 110.43 14.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.548 -0.751 . . . . 72.14 110.162 177.232 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -100.63 108.14 22.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.121 0.486 . . . . 74.21 110.857 -179.353 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.11 131.17 47.18 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.412 0.625 . . . . 71.31 109.761 177.319 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 m -118.99 159.42 23.88 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.566 -1.197 . . . . 74.23 109.564 178.058 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.0 mt -122.99 105.09 9.67 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.418 0.628 . . . . 74.42 110.045 172.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -102.55 94.68 5.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.09 -0.959 . . . . 72.2 109.025 177.104 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.14 -124.03 6.27 Favored Glycine 0 N--CA 1.44 -1.04 0 N-CA-C 108.963 -1.655 . . . . 71.21 108.963 -164.047 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -118.73 76.0 1.07 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 122.498 1.142 . . . . 74.51 108.115 165.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.7 m -142.62 108.79 5.23 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 113.284 -1.78 . . . . 74.55 109.116 -172.497 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -77.82 99.42 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.669 -0.696 . . . . 74.41 109.525 179.169 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -116.7 113.31 22.45 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.705 -0.68 . . . . 65.02 109.591 -172.599 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -125.48 134.75 51.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.285 0.564 . . . . 64.42 111.724 -171.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 17.9 m-90 -111.18 124.84 53.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.026 -0.988 . . . . 74.33 109.092 171.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -108.89 128.34 54.83 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.422 0.629 . . . . 72.53 110.775 178.415 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -117.55 139.75 50.54 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.638 -1.165 . . . . 62.11 109.628 -178.247 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.5 m -72.44 161.44 30.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.164 -0.925 . . . . 73.4 110.514 178.199 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -59.97 -39.04 84.26 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.451 0.7 . . . . 61.21 110.503 176.451 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -42.79 99.64 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.781 0.676 . . . . 72.45 111.728 175.181 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.26 -36.57 81.86 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 123.774 0.671 . . . . 73.15 111.856 -179.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.1 -27.41 17.97 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 123.221 0.608 . . . . 73.01 112.086 178.212 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.29 -36.85 63.8 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.261 -0.274 . . . . 74.44 111.508 174.201 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -89.09 3.36 52.05 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 112.581 0.586 . . . . 71.11 112.581 -175.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.08 125.61 23.45 Favored 'General case' 0 CA--C 1.519 -0.221 0 O-C-N 123.931 0.769 . . . . 75.12 111.317 179.418 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -79.84 123.81 83.61 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.148 -0.933 . . . . 74.52 111.42 -171.001 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -67.92 122.63 9.76 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.07 1.847 . . . . 74.34 111.779 175.298 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -88.75 178.88 6.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.901 -0.591 . . . . 71.22 109.774 177.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.73 -16.05 61.19 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 111.932 0.345 . . . . 72.34 111.932 -179.161 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -73.65 -23.3 59.84 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.113 0.565 . . . . 63.22 111.428 176.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.29 -17.84 9.36 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 114.518 0.567 . . . . 75.22 114.518 174.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 3.8 mp0 -114.76 -10.12 12.45 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 117.098 0.449 . . . . 71.32 109.873 173.608 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.7 m -92.05 135.99 33.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.249 0.547 . . . . 51.22 110.401 178.465 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.555 ' CD1' HD11 ' A' ' 10' ' ' LEU . 70.6 m95 -128.27 125.21 38.41 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 115.284 -0.871 . . . . 73.01 110.39 -178.283 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -81.46 108.25 14.9 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.019 -0.734 . . . . 73.51 109.019 173.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.21 99.17 12.24 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 107.297 -1.372 . . . . 65.32 107.297 176.539 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.71 128.87 40.13 Favored 'General case' 0 N--CA 1.432 -1.332 0 CA-C-N 115.529 -0.76 . . . . 74.22 109.512 177.446 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.8 p -124.68 -172.91 2.67 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.605 -1.18 . . . . 74.24 109.615 -175.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -76.05 -16.27 80.8 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 116.104 -0.498 . . . . 71.53 111.882 170.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -88.28 -48.81 7.39 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.082 0.553 . . . . 72.24 110.835 179.155 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -178.42 -128.39 1.17 Allowed Glycine 0 C--N 1.341 0.85 0 C-N-CA 120.669 -0.777 . . . . 72.42 114.17 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -145.3 122.22 11.32 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.777 0.831 . . . . 74.41 110.196 -173.532 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.488 ' HB3' ' CG1' ' A' ' 22' ' ' ILE . 76.1 m-85 -131.33 115.01 15.7 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.773 -0.649 . . . . 74.05 109.714 -173.238 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -87.57 103.89 15.98 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 119.846 -0.742 . . . . 60.11 111.158 -173.157 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.659 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 78.2 mt -89.71 109.91 20.85 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 109.339 -0.615 . . . . 73.13 109.339 -177.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 30.3 ttp180 -110.24 116.2 31.06 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 121.357 0.599 . . . . 74.14 110.341 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.6 p -82.49 124.74 30.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.731 -1.122 . . . . 73.44 111.097 -176.156 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.7 mt -128.93 154.72 46.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.631 -1.168 . . . . 71.14 109.058 -176.096 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.05 179.47 44.31 Favored Glycine 0 C--O 1.239 0.457 0 C-N-CA 120.519 -0.848 . . . . 44.1 112.067 -177.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.46 24.59 1.91 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.963 0.411 . . . . 73.44 111.111 -179.288 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.2 t -124.71 110.78 25.92 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 N-CA-C 109.061 -0.718 . . . . 74.22 109.061 -173.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.2 m -43.09 116.75 0.95 Allowed 'General case' 0 N--CA 1.475 0.778 0 O-C-N 125.381 1.676 . . . . 74.2 113.534 175.336 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -106.98 101.12 10.57 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.056 0.455 . . . . 70.22 111.26 179.442 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.4 m -140.51 140.21 35.23 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.747 -0.66 . . . . 72.34 109.374 177.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -107.62 -111.08 3.49 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 120.523 -0.846 . . . . 61.04 114.131 -172.022 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -162.15 -45.39 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.794 0.438 . . . . 74.32 111.049 -171.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -169.16 -67.55 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 107.689 -1.226 . . . . 72.34 107.689 -177.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 C--O 1.252 1.212 0 N-CA-C 108.479 -0.934 . . . . 75.14 108.479 171.328 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.883 0 N-CA-C 111.938 -0.465 . . . . 51.45 111.938 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 p -123.51 -33.14 3.27 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.543 0.942 . . . . 63.31 113.543 -174.523 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -80.23 -35.4 36.2 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.934 0.716 . . . . 75.44 112.934 -171.479 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 63.6 mtm -80.3 124.08 28.54 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 107.381 -1.34 . . . . 64.52 107.381 170.528 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.56 -62.76 1.59 Allowed 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 118.419 -0.8 . . . . 72.34 109.543 -175.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 54.29 30.11 11.91 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.337 1.055 . . . . 72.21 113.176 171.278 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 62.16 -80.16 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.59 1.156 . . . . 74.04 110.698 -160.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.3 mtm105 66.94 105.32 0.04 OUTLIER 'General case' 0 CA--C 1.489 -1.367 0 C-N-CA 126.004 1.722 . . . . 75.4 111.878 178.268 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -93.4 169.86 10.05 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-N 113.8 -1.545 . . . . 73.12 107.096 165.831 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 89' ' ' TRP . 22.1 tp -65.2 -24.59 67.4 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 110.174 -0.306 . . . . 70.23 110.174 175.222 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.8 tp -66.05 -29.97 70.41 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.618 0.767 . . . . 73.02 112.495 176.127 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -80.62 -35.75 33.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.08 0.467 . . . . 63.33 110.329 176.542 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.52 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 24.6 mm-40 -74.42 -29.4 61.49 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.533 0.938 . . . . 71.31 113.533 -175.426 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -74.94 -21.63 59.07 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.395 0.517 . . . . 65.41 112.395 -179.032 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -70.84 -31.26 67.92 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.528 0.518 . . . . 71.11 111.438 177.436 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -104.15 2.68 32.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.625 0.602 . . . . 73.44 112.625 -178.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.49 130.45 35.05 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.765 0.317 . . . . 61.33 111.397 -178.449 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.458 ' HB3' ' O ' ' A' ' 106' ' ' VAL . 16.9 m-20 -92.15 -38.92 11.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.915 0.865 . . . . 74.42 109.426 175.2 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.3 ttp -128.64 140.56 51.7 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.216 -1.356 . . . . 72.54 109.427 178.541 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.0 mt -116.08 129.85 56.54 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.469 0.652 . . . . 73.14 110.172 173.644 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -104.42 146.03 29.42 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.301 -1.318 . . . . 72.33 108.746 176.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.537 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.3 tt -135.87 114.3 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.12 0 CA-C-O 121.724 0.773 . . . . 72.24 110.235 172.13 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 t70 63.22 24.9 14.56 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 114.286 -1.324 . . . . 72.31 111.841 176.211 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.64 -17.96 55.8 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 121.231 -0.509 . . . . 71.11 113.376 -178.685 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 tp -93.53 126.53 38.74 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.81 -0.441 . . . . 75.41 109.81 179.121 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -87.38 123.84 32.75 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.064 -0.516 . . . . 75.52 110.659 -174.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.31 131.54 35.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.877 -0.601 . . . . 73.13 110.293 178.555 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.7 p-90 -78.1 -28.39 48.66 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.108 0.48 . . . . 71.43 110.718 -176.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -134.18 134.82 42.54 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 121.785 0.802 . . . . 75.51 109.031 -179.232 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -133.12 152.59 51.94 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 113.906 -1.497 . . . . 75.31 107.808 169.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -129.45 133.13 47.15 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 109.087 -0.709 . . . . 74.31 109.087 -178.184 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.6 mt -101.63 136.75 40.95 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 107.76 -1.2 . . . . 65.31 107.76 176.089 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.557 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.5 t-20 -78.27 90.99 4.36 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 108.519 -0.919 . . . . 74.25 108.519 177.063 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -66.57 -36.41 82.59 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.84 0.856 . . . . 65.44 112.064 -172.217 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 23.7 t-20 -55.34 -50.56 69.34 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 124.391 1.057 . . . . 71.11 111.386 173.383 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.6 tp -77.68 -24.84 49.22 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 115.854 -0.612 . . . . 75.21 111.7 -176.252 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 21.0 mt -83.32 -22.57 32.86 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.196 0.443 . . . . 71.12 112.196 179.464 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.48 -38.82 84.98 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.559 -0.904 . . . . 75.43 108.559 171.052 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 35' ' ' ASN . 85.4 mt-30 -74.59 -30.2 61.6 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 114.981 -1.009 . . . . 75.02 111.99 177.852 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.93 -41.92 67.27 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.444 0.465 . . . . 64.12 111.855 -178.702 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -71.4 -36.88 71.51 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.747 -0.66 . . . . 74.15 110.487 176.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.65 -36.89 85.31 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.259 1.024 . . . . 75.11 111.692 178.066 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.27 -44.25 53.64 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.912 -0.586 . . . . 74.41 111.018 177.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.44 -36.8 83.55 Favored 'General case' 0 C--O 1.224 -0.238 0 O-C-N 124.042 0.839 . . . . 74.0 112.244 -179.186 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.48 -14.86 61.31 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.519 0.563 . . . . 73.33 112.519 177.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.95 11.58 37.2 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.263 0.225 . . . . 73.12 111.412 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.0 t70 75.53 -4.08 2.45 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 126.064 1.746 . . . . 64.24 112.576 177.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -78.98 124.07 84.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 121.692 -0.63 . . . . 74.1 110.203 -176.254 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -70.51 122.78 9.24 Favored 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 121.875 1.716 . . . . 74.14 110.996 174.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -89.62 120.05 30.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.359 0.6 . . . . 72.32 110.963 -170.297 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.56 121.93 39.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.371 -0.831 . . . . 74.34 110.106 177.742 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 p -145.07 134.15 22.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.545 0.688 . . . . 53.45 110.567 174.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -94.04 18.14 11.18 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.039 -0.982 . . . . 65.3 111.86 177.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -84.73 172.0 11.87 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 108.521 -0.918 . . . . 74.24 108.521 172.535 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.1 p-90 -77.0 157.07 31.42 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 120.878 0.37 . . . . 75.22 110.355 -179.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.6 p -133.42 -28.21 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.084 0.469 . . . . 61.41 111.096 175.495 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.98 126.6 36.45 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.499 -0.556 . . . . 74.24 109.499 -172.723 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.62 102.41 6.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.253 -0.43 . . . . 75.43 109.944 173.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.82 116.1 44.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.81 -0.811 . . . . 73.51 108.81 179.697 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -113.76 135.09 54.33 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.83 0.824 . . . . 71.14 110.146 176.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.8 t -133.73 129.84 37.27 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.014 -0.993 . . . . 74.53 110.176 -175.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.453 ' HA ' ' O ' ' A' ' 66' ' ' THR . 65.2 mt -87.46 107.89 18.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.095 0.474 . . . . 71.25 110.598 179.369 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -115.45 98.05 6.51 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.471 -0.786 . . . . 74.44 109.199 -176.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.59 -90.49 1.44 Allowed Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 114.984 -1.007 . . . . 74.24 111.366 -173.006 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -141.87 30.99 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.698 0.399 . . . . 74.13 111.369 -179.016 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 7.4 t -140.03 146.24 38.77 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.317 -0.553 . . . . 74.43 112.074 -178.531 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.9 mtm105 -85.33 103.82 14.6 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 108.071 -1.085 . . . . 75.54 108.071 167.171 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -89.84 115.34 27.09 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 106.656 -1.609 . . . . 75.14 106.656 172.094 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -124.21 127.86 48.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.317 0.58 . . . . 71.14 111.461 -167.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 8.8 m-90 -114.1 124.09 51.25 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.504 -0.925 . . . . 75.52 108.504 177.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -119.0 129.7 55.29 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.276 0.56 . . . . 64.14 109.968 178.593 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -115.32 145.15 42.77 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.883 -1.053 . . . . 74.01 110.575 -175.359 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.6 m -76.93 160.82 28.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.229 0.955 . . . . 73.13 110.228 175.476 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -63.43 -43.89 96.13 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.758 -0.656 . . . . 75.5 112.054 -176.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -76.58 -20.02 57.26 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.409 0.443 . . . . 73.43 112.066 -177.742 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.17 -40.36 86.61 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.026 0.441 . . . . 72.1 111.036 168.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.2 t -69.31 -29.22 41.54 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 C-N-CA 123.644 0.778 . . . . 75.21 111.752 172.674 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 19.2 mmt -67.12 -40.42 86.83 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.906 0.336 . . . . 73.3 111.906 175.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -91.43 2.23 56.56 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.593 0.59 . . . . 73.4 112.593 -178.839 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 121.28 13.3 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.321 0.581 . . . . 63.35 111.049 179.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -85.19 129.39 55.99 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 114.634 -1.166 . . . . 75.11 111.783 -168.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -66.38 125.75 14.47 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 121.931 1.754 . . . . 72.22 112.193 174.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -85.38 178.82 7.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.349 -0.841 . . . . 73.3 110.82 -179.306 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.83 -20.44 62.56 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.72 -0.673 . . . . 75.32 111.642 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -72.42 -23.86 61.15 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.727 -0.669 . . . . 75.11 111.193 173.491 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.06 -16.19 17.56 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 114.894 0.717 . . . . 55.14 114.894 175.449 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 27.6 mt-10 -118.27 -13.11 9.87 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 117.342 0.571 . . . . 71.01 110.297 177.804 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.1 m -87.86 142.64 27.65 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.755 -0.657 . . . . 70.12 109.776 173.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.561 ' CD1' HD11 ' A' ' 10' ' ' LEU . 72.6 m95 -130.02 132.71 46.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.759 -0.655 . . . . 74.01 109.283 -178.174 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -86.38 105.57 16.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.434 -0.58 . . . . 74.34 109.434 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.44 100.75 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.158 -0.928 . . . . 71.15 108.778 174.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 t -90.26 121.33 32.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.03 0.919 . . . . 71.31 110.321 -179.714 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 73.1 p -122.11 -171.85 2.33 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.663 -1.153 . . . . 72.52 109.448 -178.087 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.82 -9.51 86.86 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 121.34 -0.457 . . . . 44.13 112.67 173.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -89.58 -50.31 6.16 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.697 -0.482 . . . . 72.31 109.697 176.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 173.03 -122.05 0.9 Allowed Glycine 0 C--N 1.335 0.523 0 CA-C-N 116.015 -0.539 . . . . 65.05 112.037 -177.272 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.2 123.0 15.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.354 0.597 . . . . 71.52 110.761 -175.164 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -111.98 122.28 47.32 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.816 -1.083 . . . . 73.54 108.834 178.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.537 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 15.6 tt0 -88.73 101.71 14.27 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.588 -0.278 . . . . 70.13 110.745 -176.339 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.5 mt -91.49 110.42 21.73 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 109.409 -0.589 . . . . 73.43 109.409 178.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 24.2 ttp180 -112.77 127.72 56.23 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.326 0.584 . . . . 75.53 110.495 -179.705 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.52 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 67.3 m -83.72 118.26 23.78 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.668 -1.151 . . . . 64.33 110.684 179.111 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.3 mt -119.05 155.54 31.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.316 -1.311 . . . . 74.05 110.158 -175.248 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -113.56 -164.94 15.78 Favored Glycine 0 N--CA 1.439 -1.123 0 C-N-CA 120.628 -0.796 . . . . 74.54 112.581 178.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 69.15 22.91 6.61 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.659 1.184 . . . . 74.32 113.733 168.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.458 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 87.5 t -119.69 89.9 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 107.578 -1.267 . . . . 74.03 107.578 171.143 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.2 m 61.81 -161.98 0.28 Allowed 'General case' 0 C--O 1.242 0.692 0 O-C-N 124.474 1.109 . . . . 70.12 109.246 -167.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -150.84 -52.25 0.13 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.262 0.554 . . . . 74.22 109.751 173.346 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.5 m -91.75 78.42 5.47 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.546 -0.752 . . . . 73.33 109.857 174.34 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -112.31 15.88 24.93 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.094 -0.957 . . . . 75.25 111.281 174.372 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -91.49 76.8 5.81 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.131 -0.692 . . . . 72.02 109.131 -177.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -84.15 89.38 7.29 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.473 -0.785 . . . . 70.4 109.559 -179.072 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 . . . . . 0 C--O 1.246 0.893 0 N-CA-C 108.529 -0.915 . . . . 75.04 108.529 -176.873 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 . . . . . 0 CA--C 1.49 -1.347 0 N-CA-C 108.585 -0.894 . . . . 72.439999999999998 108.585 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -92.96 -176.06 4.08 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 113.646 -1.615 . . . . 72.5 108.744 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.511 HD13 ' CD1' ' A' ' 89' ' ' TRP . 35.9 tp -63.88 -27.67 69.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.558 -0.292 . . . . 61.43 110.241 172.05 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.633 HD11 HD22 ' A' ' 37' ' ' LEU . 40.1 tp -61.23 -44.33 97.44 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 124.158 0.911 . . . . 71.510000000000005 112.119 174.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.95 -33.66 72.22 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.447 0.699 . . . . 71.109999999999999 111.526 177.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.97 -41.41 17.34 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.664 0.987 . . . . 73.319999999999993 113.664 -172.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.26 -21.53 63.89 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.177 0.806 . . . . 71.439999999999998 113.177 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.36 -42.0 96.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.133 0.573 . . . . 72.420000000000002 111.898 175.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.7 p -96.86 -10.53 26.33 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.334 0.494 . . . . 74.439999999999998 112.334 -176.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.43 ' HB2' ' HB3' ' A' ' 102' ' ' CYS . . . -75.15 154.77 37.55 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 113.072 0.767 . . . . 64.140000000000001 113.072 -173.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -110.85 -48.3 3.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.983 -1.008 . . . . 54.219999999999999 109.643 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.2 ttp -110.91 151.69 27.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.109 -0.951 . . . . 51.130000000000003 109.323 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.6 tp -142.25 123.01 14.3 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 109.815 -0.439 . . . . 75.299999999999997 109.815 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.457 ' OE1' ' HD3' ' A' ' 101' ' ' ARG . 43.1 mt-10 -99.76 153.64 18.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.327 -0.249 . . . . 54.539999999999999 110.327 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.48 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.0 tt -137.09 108.12 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-O 121.975 0.893 . . . . 64.340000000000003 109.933 176.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.4 t0 62.91 24.95 14.83 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 125.055 1.342 . . . . 65.150000000000006 111.047 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.8 -11.35 60.88 Favored Glycine 0 CA--C 1.532 1.136 0 O-C-N 121.495 -0.753 . . . . 54.409999999999997 112.82 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 tt -93.66 112.42 24.29 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.785 -0.821 . . . . 74.549999999999997 108.785 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -75.43 134.12 40.97 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.917 0.389 . . . . 73.230000000000004 111.753 -177.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.78 141.55 30.64 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.913 -0.585 . . . . 43.25 110.184 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -90.41 -15.79 30.29 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.654 -0.703 . . . . 74.400000000000006 110.458 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -143.07 142.57 31.58 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.538 -0.755 . . . . 73.349999999999994 110.26 -175.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -153.93 146.78 24.37 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.47 -0.567 . . . . 74.209999999999994 109.47 166.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -126.73 151.63 47.91 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.961 -0.563 . . . . 71.129999999999995 110.252 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -122.51 146.72 47.14 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.385 -0.825 . . . . 65.430000000000007 111.084 -172.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.648 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.2 t-20 -84.66 85.78 7.39 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.675 -0.861 . . . . 53.329999999999998 108.675 173.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -74.46 -26.9 60.33 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.703 0.801 . . . . 72.209999999999994 111.456 -170.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -60.39 -43.2 96.87 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.933 1.293 . . . . 61.140000000000001 110.999 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.2 tp -77.62 -24.16 49.63 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.737 -0.665 . . . . 65.140000000000001 110.899 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 27.8 mt -83.43 -19.63 35.59 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 112.309 0.485 . . . . 74.530000000000001 112.309 -176.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.8 -47.27 78.68 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 123.768 0.668 . . . . 75.340000000000003 109.334 166.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -71.97 -30.41 65.25 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 124.065 0.853 . . . . 72.120000000000005 112.065 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.32 -49.06 68.27 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.449 -0.796 . . . . 43.409999999999997 111.144 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -72.2 -31.78 66.18 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 123.608 0.568 . . . . 75.329999999999998 111.077 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.19 -41.82 93.77 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.993 0.917 . . . . 74.319999999999993 111.389 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.23 -40.11 74.68 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.494 -0.775 . . . . 73.409999999999997 110.803 175.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.83 81.97 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 123.229 0.612 . . . . 72.430000000000007 111.973 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -69.74 -19.87 63.52 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.784 0.834 . . . . 70.019999999999996 111.818 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.1 5.28 52.21 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.167 -0.469 . . . . 72.010000000000005 111.303 173.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t70 67.31 25.52 8.75 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.116 1.766 . . . . 74.209999999999994 111.626 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -105.77 124.35 36.4 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.505 -0.554 . . . . 50.219999999999999 109.505 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -60.83 124.66 15.42 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.486 2.124 . . . . 64.129999999999995 112.397 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -99.45 133.12 44.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.746 -0.661 . . . . 72.319999999999993 109.467 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -144.53 122.89 12.32 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.749 -0.659 . . . . 33.210000000000001 109.819 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.0 t -140.11 139.37 35.81 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.05 -0.722 . . . . 74.230000000000004 109.05 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -92.77 15.4 14.68 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.417 0.525 . . . . 64.25 112.417 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -78.49 162.91 26.01 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.334 -0.988 . . . . 63.329999999999998 108.334 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 6.5 p-90 -69.01 154.41 42.11 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.092 0.472 . . . . 71.25 110.446 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.463 HG23 HD21 ' A' ' 37' ' ' LEU . 13.6 p -133.14 -26.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 120.951 0.405 . . . . 73.140000000000001 110.794 174.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.2 tp -144.71 117.81 8.89 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-O 121.237 0.541 . . . . 75.200000000000003 111.415 -168.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.26 112.68 24.79 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.398 -0.819 . . . . 62.140000000000001 108.977 171.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.9 t -100.25 116.42 43.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 114.874 -1.057 . . . . 73.319999999999993 109.17 -173.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -118.76 121.42 40.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.602 0.715 . . . . 72.450000000000003 112.024 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.1 t -117.0 152.28 34.96 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.223 -0.899 . . . . 62.240000000000002 108.798 168.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.3 mt -109.18 118.78 37.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.971 -0.751 . . . . 71.349999999999994 108.971 173.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -104.91 117.95 35.33 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.517 -1.29 . . . . 73.310000000000002 107.517 170.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.04 -110.46 3.33 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 109.311 -1.516 . . . . 74.340000000000003 109.311 -163.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 65' ' ' ARG . 28.0 mmt180 -134.36 19.95 3.67 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.263 0.468 . . . . 71.329999999999998 112.263 171.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 t -89.48 145.08 25.54 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 109.768 -0.456 . . . . 74.299999999999997 109.768 176.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -86.19 125.81 33.81 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.672 -0.492 . . . . 71.239999999999995 109.672 176.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 -119.69 114.63 22.48 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.801 -0.814 . . . . 72.340000000000003 108.801 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -126.07 122.35 35.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.087 0.47 . . . . 63.420000000000002 111.248 -168.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 22.2 m-90 -111.81 123.99 51.42 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.593 -0.891 . . . . 72.409999999999997 108.593 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -109.32 128.93 55.48 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 120.194 -0.602 . . . . 72.120000000000005 110.468 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -115.35 138.05 51.39 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 114.732 -1.122 . . . . 72.340000000000003 110.173 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.8 p -76.31 159.72 30.3 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 123.712 0.632 . . . . 43.439999999999998 110.027 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -62.85 -31.91 73.03 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.808 -0.633 . . . . 74.239999999999995 110.321 175.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -63.72 -46.6 84.67 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.254 -0.885 . . . . 75.430000000000007 110.796 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.17 93.86 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 123.904 0.753 . . . . 60.350000000000001 111.671 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.11 -29.08 45.64 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.173 0 C-N-CA 123.918 0.887 . . . . 61.219999999999999 112.797 176.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.1 mmt -77.28 -30.12 54.16 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 122.186 -0.321 . . . . 74.239999999999995 111.667 172.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -90.05 2.52 55.11 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.306 0.643 . . . . 73.049999999999997 111.762 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.85 123.67 26.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.585 -0.734 . . . . 74.219999999999999 110.89 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -86.08 130.36 50.44 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 114.825 -1.079 . . . . 72.230000000000004 111.969 -171.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -67.54 119.99 7.02 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.038 1.825 . . . . 73.120000000000005 111.851 173.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -90.28 172.98 8.39 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.837 -0.62 . . . . 74.340000000000003 110.383 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.37 -5.78 50.89 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.131 0.789 . . . . 72.5 113.131 -174.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -75.1 -23.62 57.98 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 122.713 0.405 . . . . 53.439999999999998 110.596 172.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.86 -16.05 44.19 Favored Glycine 0 C--N 1.34 0.752 0 CA-C-N 115.902 -0.59 . . . . 71.230000000000004 114.297 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.473 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 6.3 mp0 -118.38 -13.96 9.77 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 117.351 0.575 . . . . 73.030000000000001 110.67 176.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.3 m -91.93 141.69 28.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.212 0.529 . . . . 73.540000000000006 111.62 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.511 ' CD1' HD13 ' A' ' 10' ' ' LEU . 70.0 m95 -128.13 138.66 52.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.362 -0.835 . . . . 75.230000000000004 110.042 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -94.26 102.57 14.58 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.846 0.355 . . . . 73.010000000000005 110.342 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.437 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 4.5 mm? -91.85 98.38 11.56 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 115.715 -0.675 . . . . 71.510000000000005 109.272 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.0 p -97.03 98.11 9.79 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-O 121.873 0.844 . . . . 64.230000000000004 110.303 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.9 p -106.92 176.2 5.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.601 -1.181 . . . . 74.040000000000006 109.086 -175.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -79.36 -6.9 88.8 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 121.326 -0.464 . . . . 50.43 112.069 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -93.3 -35.48 13.05 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 122.354 0.262 . . . . 64.109999999999999 110.61 173.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.34 179.7 39.85 Favored Glycine 0 N--CA 1.444 -0.81 0 O-C-N 123.328 0.392 . . . . 73.430000000000007 112.78 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 91' ' ' LEU . . . -96.37 131.39 42.97 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 110.047 -0.353 . . . . 52.350000000000001 110.047 177.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.404 ' O ' ' HB2' ' A' ' 91' ' ' LEU . 93.9 m-85 -131.69 120.03 22.19 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.631 0.772 . . . . 75.200000000000003 110.021 -175.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.48 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 38.7 tt0 -87.05 101.6 13.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.181 -0.463 . . . . 71.430000000000007 110.616 -176.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.1 mt -93.21 111.9 23.68 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 120.868 0.366 . . . . 53.219999999999999 110.806 -177.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.473 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 32.4 ttt180 -116.29 108.46 16.12 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 115.891 -0.595 . . . . 74.129999999999995 110.134 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.43 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 12.8 m -83.69 124.43 30.84 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.296 0.569 . . . . 72.349999999999994 110.593 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 N--CA 1.447 -0.602 0 CA-C-N 114.986 -1.006 . . . . 63.229999999999997 110.835 -176.268 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 . . . . . 0 N--CA 1.446 -0.627 0 N-CA-C 108.413 -0.958 . . . . 75.099999999999994 108.413 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -100.41 167.51 10.34 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.773 -1.195 . . . . 75.019999999999996 107.773 170.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.493 HD13 ' CD1' ' A' ' 89' ' ' TRP . 48.9 tp -62.33 -30.95 71.53 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 123.13 0.268 . . . . 64.010000000000005 110.892 178.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.403 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 67.5 mt -58.89 -49.73 76.68 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 123.82 0.7 . . . . 71.519999999999996 111.899 172.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -64.19 -34.17 77.48 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.044 0.45 . . . . 75.140000000000001 111.068 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -69.17 -42.91 75.25 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.434 -0.803 . . . . 62.310000000000002 111.895 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.468 HD22 HD23 ' A' ' 57' ' ' LEU . 3.4 pp -75.19 -21.95 58.34 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 112.69 0.626 . . . . 75.120000000000005 112.69 -177.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 22.9 mm-40 -61.39 -37.34 83.09 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.321 0.648 . . . . 64.430000000000007 111.794 173.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 p -119.04 23.15 11.54 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 111.965 0.358 . . . . 75.0 111.965 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.2 130.9 34.8 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.642 -0.503 . . . . 71.400000000000006 109.642 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -94.54 -52.26 4.39 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.667 -0.864 . . . . 71.239999999999995 108.667 172.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.0 ttp -114.78 130.01 56.78 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.55 -1.205 . . . . 74.099999999999994 109.381 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.5 tp -122.6 128.89 51.27 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.387 0.613 . . . . 65.040000000000006 109.662 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.491 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 5.3 tt0 -109.65 152.49 25.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.883 -1.053 . . . . 75.209999999999994 110.437 -174.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.677 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 7.2 tt -137.24 112.88 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.202 0 CA-C-O 121.818 0.818 . . . . 74.329999999999998 110.869 173.356 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.34 26.86 16.06 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.684 1.194 . . . . 71.430000000000007 113.439 176.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.29 -20.64 47.81 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 120.927 -0.654 . . . . 33.109999999999999 112.907 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 tt -97.75 112.03 24.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.703 -0.851 . . . . 73.140000000000001 108.703 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 9.9 p80 -85.06 144.24 28.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.429 -0.508 . . . . 73.439999999999998 111.895 -173.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.2 157.09 18.39 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.786 -0.643 . . . . 64.109999999999999 109.706 173.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 10.6 p-90 -96.39 -17.77 20.39 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.01 -0.367 . . . . 70.230000000000004 110.01 176.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -153.36 140.8 19.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.215 0.606 . . . . 74.040000000000006 109.957 -174.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -140.19 153.41 46.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.109 -0.496 . . . . 71.109999999999999 110.407 172.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -124.38 143.95 50.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.05 0.452 . . . . 43.240000000000002 111.359 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.464 HD22 HD13 ' A' ' 14' ' ' LEU . 49.0 mt -113.48 147.77 37.24 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.599 -1.182 . . . . 74.319999999999993 108.941 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -82.53 97.72 8.59 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.604 -0.887 . . . . 71.239999999999995 108.604 174.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -72.32 -34.48 68.12 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.207 -0.906 . . . . 72.409999999999997 111.914 -171.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -65.05 -39.58 93.49 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.586 0.754 . . . . 70.120000000000005 111.05 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.2 tp -78.84 -32.03 45.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 72.109999999999999 111.466 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.1 -21.92 56.13 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.991 -0.55 . . . . 72.349999999999994 111.821 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.47 -41.25 89.3 Favored 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.322 0.388 . . . . 73.319999999999993 110.005 171.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -75.45 -26.91 58.66 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.687 -0.688 . . . . 70.010000000000005 111.472 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.96 81.8 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.285 0.634 . . . . 74.430000000000007 111.202 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -78.65 -32.3 47.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.703 -0.681 . . . . 73.109999999999999 110.643 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.13 -46.65 88.93 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.939 0.896 . . . . 73.329999999999998 110.286 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.71 -37.71 85.26 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.373 -0.831 . . . . 71.5 111.029 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.79 74.61 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.053 0.39 . . . . 71.349999999999994 112.053 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -79.57 -11.74 59.87 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.28 -0.418 . . . . 73.329999999999998 111.805 175.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.8 8.89 35.02 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.046 0.539 . . . . 73.030000000000001 111.529 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.8 t70 64.91 30.33 12.04 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 125.044 1.338 . . . . 65.209999999999994 111.562 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -117.54 124.33 29.03 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.957 -0.565 . . . . 61.149999999999999 109.771 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.26 125.78 14.02 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.632 2.221 . . . . 73.420000000000002 111.618 172.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -95.39 136.62 35.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.352 -0.386 . . . . 73.430000000000007 110.336 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -148.28 137.23 21.8 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.559 -0.746 . . . . 63.229999999999997 109.795 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.8 p -146.87 150.65 35.66 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 123.737 0.648 . . . . 65.120000000000005 110.34 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -99.58 15.43 26.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.23 -0.441 . . . . 71.030000000000001 110.79 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -82.64 165.43 20.03 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 107.975 -1.12 . . . . 71.420000000000002 107.975 171.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -69.91 150.81 46.36 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 123.333 0.396 . . . . 71.540000000000006 110.302 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.0 p -135.42 -13.71 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.941 0.4 . . . . 55.140000000000001 111.042 171.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.468 HD23 HD22 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -135.38 126.18 27.39 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.987 -0.375 . . . . 71.25 109.987 -173.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.1 105.81 7.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.537 0.523 . . . . 73.230000000000004 109.644 171.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.465 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -101.43 115.27 42.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 110.034 -0.358 . . . . 72.340000000000003 110.034 -179.153 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.427 ' OE2' ' HD2' ' A' ' 67' ' ' ARG . 29.2 tt0 -103.8 121.15 42.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.624 -0.716 . . . . 74.510000000000005 109.785 176.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.7 t -126.86 129.07 47.52 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 114.995 -1.002 . . . . 65.430000000000007 109.013 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.4 mt -79.41 103.79 9.57 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.021 -0.733 . . . . 71.120000000000005 109.021 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -105.06 97.84 7.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.17 -1.377 . . . . 62.240000000000002 108.499 -176.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.09 -103.77 2.17 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 110.098 -1.201 . . . . 64.420000000000002 110.098 -169.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -133.23 23.41 4.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.917 0.865 . . . . 75.409999999999997 109.241 171.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -107.78 139.0 43.02 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 113.873 -1.512 . . . . 72.140000000000001 110.481 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.427 ' HD2' ' OE2' ' A' ' 60' ' ' GLU . 45.6 mtm105 -86.85 99.29 11.72 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.633 -0.877 . . . . 73.420000000000002 108.633 169.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -87.46 116.26 25.44 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.459 -0.941 . . . . 75.209999999999994 108.459 -178.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -117.02 129.7 56.19 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.375 -0.83 . . . . 74.450000000000003 110.405 -171.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.465 ' HB2' HG23 ' A' ' 59' ' ' VAL . 17.5 m-90 -119.34 125.35 48.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.397 -0.594 . . . . 74.019999999999996 109.397 170.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.461 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 55.3 mtt180 -116.55 118.79 33.6 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.694 0.759 . . . . 71.409999999999997 111.043 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -105.77 144.2 32.85 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.217 -1.356 . . . . 75.0 109.685 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.3 p -75.86 163.18 27.47 Favored 'General case' 0 N--CA 1.443 -0.78 0 O-C-N 123.909 0.755 . . . . 73.209999999999994 109.962 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -63.41 -36.74 84.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.473 -0.785 . . . . 73.549999999999997 110.219 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.528 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 1.9 m-20 -58.51 -47.69 83.3 Favored 'General case' 0 C--O 1.221 -0.414 0 O-C-N 123.934 0.771 . . . . 72.349999999999994 111.885 174.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.09 97.88 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.631 0.582 . . . . 60.439999999999998 112.175 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.85 -26.06 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 123.82 0.848 . . . . 64.239999999999995 112.663 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -78.93 -36.56 41.55 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 122.095 -0.378 . . . . 70.310000000000002 111.629 175.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 75' ' ' ASN . 12.0 mm-40 -77.73 -16.13 58.64 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.904 0.482 . . . . 64.430000000000007 111.375 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.91 117.26 1.99 Allowed 'General case' 0 N--CA 1.471 0.61 0 O-C-N 124.425 1.078 . . . . 53.210000000000001 113.066 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -84.03 126.72 69.41 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 114.384 -1.28 . . . . 74.209999999999994 111.153 -170.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -67.1 122.38 9.68 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 121.966 1.777 . . . . 74.400000000000006 111.616 174.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -81.46 176.17 9.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.075 -0.511 . . . . 74.230000000000004 110.245 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.77 -16.23 63.6 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.851 1.056 . . . . 71.109999999999999 113.851 -171.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -89.09 -20.52 24.21 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.663 0.385 . . . . 73.409999999999997 111.863 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.01 -12.36 64.32 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 114.176 0.43 . . . . 53.530000000000001 114.176 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -109.79 -23.29 11.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 117.295 0.547 . . . . 73.310000000000002 111.665 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.5 m -92.64 145.41 24.45 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.664 -0.495 . . . . 72.120000000000005 109.664 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.493 ' CD1' HD13 ' A' ' 10' ' ' LEU . 77.8 m95 -130.22 124.89 33.56 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.608 -0.724 . . . . 72.510000000000005 110.194 -176.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.1 ttt-85 -81.32 108.41 14.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.116 -0.698 . . . . 62.240000000000002 109.116 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 3.5 mm? -89.62 99.36 12.38 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 108.571 -0.899 . . . . 74.519999999999996 108.571 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 t -83.85 116.01 22.54 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-O 121.568 0.699 . . . . 61.100000000000001 109.145 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 59.3 p -118.6 -174.45 2.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.318 -0.855 . . . . 52.149999999999999 109.482 -177.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.34 -15.08 78.99 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.89 -0.484 . . . . 71.400000000000006 111.89 174.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -98.03 -50.31 4.44 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 122.391 0.277 . . . . 71.310000000000002 111.577 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 179.37 -160.88 26.55 Favored Glycine 0 C--O 1.224 -0.507 0 C-N-CA 121.43 -0.414 . . . . 73.209999999999994 112.564 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 91' ' ' LEU . . . -102.46 135.5 43.98 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 122.678 0.391 . . . . 73.209999999999994 110.801 -176.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.563 ' HB3' HD11 ' A' ' 22' ' ' ILE . 89.0 m-85 -130.99 118.86 21.24 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.215 -0.448 . . . . 65.120000000000005 110.945 -178.091 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.677 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 25.7 tt0 -84.4 101.71 12.21 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 116.251 -0.431 . . . . 74.200000000000003 111.289 -174.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 28.9 mt -92.43 110.56 21.97 Favored 'General case' 0 C--O 1.212 -0.88 0 N-CA-C 109.215 -0.661 . . . . 71.0 109.215 176.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -110.17 113.64 26.49 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.187 0.518 . . . . 75.319999999999993 109.969 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 75.6 m -83.73 122.16 28.27 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.829 -1.078 . . . . 73.420000000000002 110.878 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 114.929 -1.032 . . . . 75.400000000000006 109.63 -175.616 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 . . . . . 0 CA--C 1.504 -0.804 0 N-CA-C 108.236 -1.024 . . . . 61.420000000000002 108.236 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.497 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 90.7 m-85 -98.16 174.3 6.59 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 107.396 -1.335 . . . . 72.010000000000005 107.396 171.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.532 HD13 ' CD1' ' A' ' 89' ' ' TRP . 57.6 tp -65.31 -22.26 66.81 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 117.883 0.31 . . . . 72.150000000000006 110.851 174.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.2 tp -64.35 -41.3 96.82 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.453 0.701 . . . . 45.299999999999997 112.176 173.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -76.72 -27.05 55.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.239 0.542 . . . . 53.340000000000003 110.57 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 56.1 mm-40 -77.1 -33.29 56.99 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 115.395 -0.82 . . . . 64.209999999999994 112.654 -177.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.411 HD13 HD22 ' A' ' 32' ' ' LEU . 3.4 pp -74.31 -23.52 59.09 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.038 0.381 . . . . 65.299999999999997 111.762 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -70.71 -29.93 66.34 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.711 -0.677 . . . . 62.350000000000001 111.546 173.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.5 p -113.98 21.14 15.13 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.247 0.462 . . . . 74.129999999999995 112.247 -177.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.17 139.98 37.95 Favored 'General case' 0 CA--C 1.514 -0.434 0 O-C-N 122.281 -0.262 . . . . 53.240000000000002 110.303 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -103.35 -51.9 3.13 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.666 -0.864 . . . . 73.420000000000002 108.666 171.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.5 ttp -105.18 130.28 53.38 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.422 -0.955 . . . . 52.219999999999999 108.422 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.6 tp -122.54 120.25 33.26 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.803 -0.814 . . . . 61.240000000000002 108.803 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 28.8 tt0 -95.54 140.36 30.49 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.466 -0.788 . . . . 65.239999999999995 108.933 -175.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.508 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 14.6 tt -131.22 111.83 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-O 122.04 0.924 . . . . 61.020000000000003 111.647 174.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t70 62.8 21.9 13.07 Favored 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 124.771 1.228 . . . . 61.140000000000001 111.469 175.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.35 7.64 51.44 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 116.246 -0.434 . . . . 73.319999999999993 113.639 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.1 mt -113.45 108.19 16.86 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 117.198 0.499 . . . . 61.329999999999998 110.415 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -80.14 116.16 20.1 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.19 0.519 . . . . 75.099999999999994 110.688 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.59 135.76 37.34 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.426 -0.806 . . . . 50.310000000000002 111.279 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.9 p-90 -82.44 -21.14 35.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.379 -0.828 . . . . 73.109999999999999 109.607 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -149.32 135.65 19.21 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.874 -1.057 . . . . 71.099999999999994 108.411 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -129.61 150.76 50.79 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.598 -0.728 . . . . 41.420000000000002 109.099 171.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -112.39 143.12 44.05 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 114.885 -1.052 . . . . 71.299999999999997 109.894 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.411 HD22 HD13 ' A' ' 14' ' ' LEU . 71.5 mt -121.15 145.95 47.28 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.693 -0.685 . . . . 65.430000000000007 109.541 177.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -88.85 87.7 7.33 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.77 -1.196 . . . . 73.140000000000001 107.77 173.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -74.17 -20.13 60.32 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.435 -0.802 . . . . 75.319999999999993 112.674 -174.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -69.36 -43.6 73.28 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.799 0.839 . . . . 73.219999999999999 110.137 172.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.5 tp -77.9 -26.7 49.28 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.255 -0.884 . . . . 73.0 111.131 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -82.45 -19.13 39.55 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.284 -0.416 . . . . 73.540000000000006 111.811 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -71.02 -37.36 72.61 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.736 -0.839 . . . . 73.129999999999995 108.736 170.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -79.26 -24.31 43.07 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.059 -0.973 . . . . 73.430000000000007 111.576 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.28 -39.15 68.57 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.066 0.46 . . . . 62.210000000000001 111.09 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.19 -35.59 69.01 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 115.204 -0.907 . . . . 72.129999999999995 110.397 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 tt -59.84 -29.84 68.54 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.236 1.415 . . . . 71.120000000000005 112.021 173.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.14 -39.93 14.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.714 -0.221 . . . . 72.120000000000005 110.434 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.93 -33.21 75.29 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 122.815 0.446 . . . . 74.140000000000001 111.742 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.89 -22.93 52.68 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.732 -0.667 . . . . 54.509999999999998 110.532 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.54 10.39 30.51 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.064 0.546 . . . . 63.399999999999999 111.683 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 t70 72.14 16.14 5.32 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.243 1.017 . . . . 73.420000000000002 111.473 174.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -110.71 150.47 41.81 Favored Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 123.442 0.697 . . . . 55.439999999999998 110.851 -175.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -77.78 134.88 13.83 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 122.387 2.058 . . . . 65.420000000000002 111.718 170.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -95.85 134.07 39.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.523 -0.547 . . . . 73.409999999999997 109.523 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -140.86 122.09 14.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.873 -0.603 . . . . 61.399999999999999 110.072 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 74' ' ' TYR . 22.7 t -142.59 145.82 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 65.310000000000002 109.779 177.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -101.38 9.18 41.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.611 -0.268 . . . . 71.219999999999999 111.219 175.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -79.44 159.09 27.17 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.383 -0.969 . . . . 64.219999999999999 108.383 172.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.6 p-90 -62.35 151.58 36.34 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 123.867 0.729 . . . . 74.400000000000006 110.816 -177.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.9 p -136.48 -16.39 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 120.995 0.426 . . . . 64.549999999999997 110.811 172.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 1.8 tm? -137.87 125.16 21.75 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.614 -0.513 . . . . 71.010000000000005 109.614 -171.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 70' ' ' TRP . . . -136.11 105.84 6.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.938 0.399 . . . . 44.140000000000001 111.326 174.059 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -100.49 124.69 54.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.947 0 CA-C-N 116.611 -0.268 . . . . 73.239999999999995 110.569 -176.233 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -108.39 118.55 37.07 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.561 -0.455 . . . . 71.230000000000004 111.149 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.1 m -122.54 136.96 55.02 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.41 -0.813 . . . . 71.420000000000002 109.59 174.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.527 ' HA ' ' O ' ' A' ' 66' ' ' THR . 9.7 mp -93.97 106.74 18.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.961 -0.563 . . . . 65.540000000000006 111.14 177.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' A' ' 66' ' ' THR . 25.0 t70 -94.3 95.88 9.2 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.335 -0.987 . . . . 70.150000000000006 108.335 168.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.57 -118.62 4.77 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 109.803 -1.319 . . . . 73.219999999999999 109.803 -166.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.0 mmt-85 -116.98 16.2 15.1 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.827 0.823 . . . . 75.409999999999997 109.465 168.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.527 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 54.0 m -76.93 100.26 5.52 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.31 -1.314 . . . . 65.010000000000005 109.671 171.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.539 ' H ' ' HD2' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -93.66 97.31 10.38 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 122.138 0.971 . . . . 73.200000000000003 109.009 178.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -110.26 132.01 54.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.741 -0.663 . . . . 54.329999999999998 109.831 -174.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.567 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -111.97 134.94 53.21 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.666 0.746 . . . . 71.420000000000002 110.474 175.262 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.451 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 22.9 m-90 -103.78 122.14 44.47 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.328 -0.99 . . . . 73.329999999999998 108.328 176.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.454 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 62.0 mtm180 -113.92 114.92 26.87 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.347 0.594 . . . . 73.420000000000002 110.855 -172.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -110.61 143.24 41.33 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.405 -0.816 . . . . 53.329999999999998 110.863 -176.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.0 m -70.92 160.27 33.16 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 124.377 1.048 . . . . 74.310000000000002 111.137 176.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.405 ' HB3' ' O ' ' A' ' 52' ' ' SER . 65.2 t80 -61.7 -40.12 93.89 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.479 -0.782 . . . . 75.140000000000001 110.707 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.448 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 3.0 m-20 -58.23 -42.76 87.02 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.106 0.879 . . . . 61.5 112.289 174.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.452 ' HB1' HD11 ' A' ' 91' ' ' LEU . . . -67.92 -33.0 73.85 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 124.234 0.959 . . . . 75.019999999999996 112.715 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 24.1 t -78.84 -24.5 13.09 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 122.878 0.471 . . . . 71.150000000000006 111.385 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.17 -37.47 53.71 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 122.305 -0.247 . . . . 73.25 111.354 174.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 75' ' ' ASN . 11.4 pt-20 -88.76 10.14 21.99 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.665 0.617 . . . . 42.450000000000003 112.665 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.35 124.33 19.66 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 123.733 0.645 . . . . 54.229999999999997 110.741 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.46 123.09 85.73 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.0 -1.0 . . . . 71.019999999999996 111.404 -170.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -69.85 122.85 9.49 Favored 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 122.292 1.995 . . . . 55.219999999999999 111.778 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -90.37 170.29 10.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.888 -0.596 . . . . 65.209999999999994 110.607 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.22 -5.19 53.75 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.313 -0.858 . . . . 43.149999999999999 111.179 173.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -72.49 -24.26 61.15 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.615 -0.72 . . . . 55.299999999999997 111.172 173.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.93 -14.94 29.44 Favored Glycine 0 C--N 1.342 0.881 0 N-CA-C 115.447 0.939 . . . . 73.209999999999994 115.447 175.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -127.02 -37.79 2.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.168 0.484 . . . . 74.329999999999998 110.472 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.6 m -74.17 134.13 42.78 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.042 -0.527 . . . . 65.519999999999996 110.791 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.532 ' CD1' HD13 ' A' ' 10' ' ' LEU . 63.4 m95 -115.96 147.32 41.29 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 107.65 -1.241 . . . . 74.129999999999995 107.65 172.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -103.27 114.02 27.97 Favored 'General case' 0 N--CA 1.432 -1.331 0 C-N-CA 119.668 -0.813 . . . . 75.010000000000005 110.377 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.452 HD11 ' HB1' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -88.99 99.76 12.67 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 107.269 -1.382 . . . . 75.030000000000001 107.269 -179.089 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.1 t -85.65 130.88 34.46 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.109 -0.951 . . . . 52.32 109.353 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.7 p -134.89 -177.23 4.53 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.578 -0.737 . . . . 63.200000000000003 110.078 -175.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -79.67 -13.05 82.94 Favored Glycine 0 C--N 1.334 0.452 0 N-CA-C 111.634 -0.586 . . . . 61.310000000000002 111.634 170.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -81.77 -46.4 14.28 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.252 -0.648 . . . . 70.099999999999994 109.252 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.75 -110.25 0.36 Allowed Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.921 -0.581 . . . . 63.340000000000003 111.83 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -155.63 131.93 10.21 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 123.506 0.722 . . . . 73.209999999999994 110.256 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -118.66 125.09 48.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.999 -1.001 . . . . 62.530000000000001 108.45 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 42.2 tt0 -84.31 100.4 11.22 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.235 -0.586 . . . . 71.409999999999997 110.549 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.499 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 20.8 mt -93.7 107.96 19.76 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.038 -0.356 . . . . 74.239999999999995 110.038 176.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -112.63 120.48 41.72 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 121.517 0.675 . . . . 75.329999999999998 110.063 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.64 116.39 22.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.542 -1.208 . . . . 72.510000000000005 111.409 -177.27 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 79.6 mt . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 114.85 -1.068 . . . . 62.420000000000002 110.796 -174.581 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 . . . . . 0 N--CA 1.432 -1.361 0 N-CA-C 108.48 -0.933 . . . . 72.450000000000003 108.48 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.46 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 32.8 m-85 -73.63 169.98 16.17 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.26 -1.336 . . . . 73.430000000000007 107.513 172.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.426 HD13 ' CD1' ' A' ' 89' ' ' TRP . 56.3 tp -58.11 -26.74 63.0 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.501 0.556 . . . . 60.140000000000001 112.501 -177.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.402 HD11 ' CD2' ' A' ' 37' ' ' LEU . 21.3 tp -62.4 -47.67 83.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.646 0.592 . . . . 60.149999999999999 112.247 174.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.05 -30.81 70.99 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.608 0.363 . . . . 74.349999999999994 110.924 176.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 18.2 mm-40 -73.02 -37.63 66.87 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 112.873 0.694 . . . . 75.450000000000003 112.873 -176.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.502 HD13 HD22 ' A' ' 32' ' ' LEU . 2.8 pp -75.71 -21.76 57.24 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.361 0.504 . . . . 73.209999999999994 112.361 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -79.44 -29.24 41.74 Favored 'General case' 0 C--N 1.332 -0.166 0 O-C-N 123.418 0.449 . . . . 75.150000000000006 111.397 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 p -101.12 9.67 41.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 74.150000000000006 111.556 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.94 139.03 31.9 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.065 0.46 . . . . 41.340000000000003 111.105 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -93.77 -31.37 14.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.93 -1.032 . . . . 50.109999999999999 109.281 173.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.5 ttp -135.21 138.74 43.91 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 114.191 -1.368 . . . . 61.439999999999998 108.674 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.3 tp -131.84 116.05 16.72 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.116 -0.633 . . . . 72.329999999999998 110.467 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -99.5 146.07 26.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.209 -0.905 . . . . 64.140000000000001 109.573 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.457 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.8 tt -136.42 112.02 11.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-O 121.738 0.78 . . . . 73.129999999999995 111.805 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 65.04 21.39 12.25 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.116 1.366 . . . . 72.239999999999995 111.622 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.08 -23.5 35.46 Favored Glycine 0 C--N 1.346 1.117 0 CA-C-N 116.156 -0.474 . . . . 74.219999999999999 112.654 -174.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 tt -81.65 127.1 32.54 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.427 -0.953 . . . . 71.329999999999998 108.427 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -88.51 124.69 34.25 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.36 -0.382 . . . . 53.240000000000002 110.921 -174.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.421 ' HA ' ' OG ' ' A' ' 61' ' ' SER . . . -77.31 129.49 35.93 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.722 -0.672 . . . . 63.340000000000003 109.681 174.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.1 p-90 -72.52 -27.99 62.58 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 109.525 -0.546 . . . . 54.240000000000002 109.525 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.2 ptt85 -152.62 169.16 23.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.6 -0.727 . . . . 54.450000000000003 109.741 173.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -141.66 159.96 41.15 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.116 -0.698 . . . . 74.430000000000007 109.116 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -138.02 139.19 39.5 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 109.136 -0.69 . . . . 64.420000000000002 109.136 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.502 HD22 HD13 ' A' ' 14' ' ' LEU . 88.9 mt -120.43 143.46 48.46 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.449 -0.341 . . . . 63.219999999999999 110.989 -174.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.543 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 33.4 t-20 -86.9 90.51 8.35 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.033 -0.729 . . . . 71.219999999999999 109.033 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -74.38 -25.99 59.83 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.779 0.832 . . . . 74.109999999999999 111.875 -175.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -61.99 -45.99 91.2 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.085 0.866 . . . . 74.540000000000006 110.948 171.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.5 tp -75.82 -24.74 55.89 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.277 -0.42 . . . . 52.240000000000002 111.308 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 47.1 mt -78.36 -25.21 46.25 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.259 0.466 . . . . 71.129999999999995 112.259 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.51 -43.9 88.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.706 0.629 . . . . 71.140000000000001 110.231 170.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -74.08 -31.48 62.85 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.709 0.631 . . . . 71.540000000000006 111.341 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.99 -43.72 78.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.019 -0.991 . . . . 71.040000000000006 111.569 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -73.07 -33.01 65.38 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 124.037 0.836 . . . . 61.219999999999999 110.586 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.6 tt -57.31 -46.48 83.15 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.819 1.247 . . . . 71.010000000000005 110.979 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.43 -39.32 59.05 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.835 -0.621 . . . . 34.329999999999998 111.166 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.35 -28.83 67.48 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.935 0.717 . . . . 65.219999999999999 112.935 -177.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -77.7 -15.71 58.97 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 122.803 0.441 . . . . 71.239999999999995 111.336 174.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.11 6.27 49.2 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.271 -0.422 . . . . 71.450000000000003 111.252 174.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 t70 72.78 4.71 5.05 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 125.939 1.695 . . . . 74.349999999999994 111.771 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -88.99 125.89 60.94 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.376 -0.602 . . . . 71.109999999999999 109.376 -176.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -66.39 124.22 12.2 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 121.868 1.712 . . . . 62.329999999999998 112.227 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -96.21 133.02 41.04 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.74 -0.837 . . . . 72.420000000000002 108.74 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.07 117.89 8.17 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.226 -0.657 . . . . 70.329999999999998 109.226 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.2 p -138.5 142.79 39.36 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.782 -0.451 . . . . 73.530000000000001 109.782 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -95.05 13.49 24.97 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.841 -0.344 . . . . 63.420000000000002 111.927 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.17 153.66 31.85 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.161 -1.051 . . . . 63.200000000000003 108.161 170.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 8.4 p-90 -60.85 150.28 33.41 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.262 0.977 . . . . 63.329999999999998 111.074 -177.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.0 p -131.34 -23.73 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.905 0.383 . . . . 63.140000000000001 110.716 174.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.8 tp -142.34 122.29 13.63 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.061 0.458 . . . . 73.340000000000003 110.998 -173.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.82 107.48 14.18 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.337 -0.847 . . . . 63.439999999999998 109.454 172.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -99.35 108.55 22.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.155 -0.683 . . . . 63.299999999999997 109.155 -179.145 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -100.71 128.33 46.8 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.495 -0.775 . . . . 72.140000000000001 109.736 -172.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 27' ' ' ALA . 22.2 m -127.45 131.23 50.25 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.163 -0.926 . . . . 74.030000000000001 109.74 176.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.1 mt -96.62 106.35 18.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.532 -0.914 . . . . 74.329999999999998 108.532 172.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.424 ' O ' HG22 ' A' ' 66' ' ' THR . 30.4 t70 -104.64 97.69 7.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.815 -0.63 . . . . 62.210000000000001 109.629 -174.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.83 -96.71 1.08 Allowed Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.088 -0.96 . . . . 53.409999999999997 110.705 -170.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -136.26 21.32 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.74 0.416 . . . . 72.140000000000001 110.849 174.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 63' ' ' ASP . 6.7 t -104.45 141.74 35.82 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.235 0.541 . . . . 70.430000000000007 110.108 174.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -97.93 108.36 21.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.986 -0.746 . . . . 71.040000000000006 108.986 175.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -123.49 114.34 19.96 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-O 121.572 0.701 . . . . 71.530000000000001 110.146 177.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.75 137.32 52.28 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.764 -1.107 . . . . 70.200000000000003 109.432 175.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.402 ' HB2' HG23 ' A' ' 59' ' ' VAL . 21.4 m-90 -103.2 122.03 43.89 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.407 -0.96 . . . . 74.439999999999998 108.407 176.083 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -107.34 109.91 21.78 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.284 -0.871 . . . . 73.319999999999993 108.985 -177.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -103.95 139.79 38.62 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 115.198 -0.91 . . . . 74.409999999999997 109.604 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.457 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 37.3 p -76.02 163.23 27.35 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 124.327 1.017 . . . . 74.150000000000006 110.58 177.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -62.29 -33.25 74.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.9 -1.046 . . . . 73.120000000000005 110.116 173.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -66.98 -37.66 84.64 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 124.682 1.193 . . . . 53.25 111.524 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.44 -38.18 74.48 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.662 0.601 . . . . 61.520000000000003 111.986 177.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.3 t -71.76 -27.04 26.81 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 CA-C-N 115.583 -0.735 . . . . 61.100000000000001 111.476 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.33 -46.14 74.34 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 122.586 0.354 . . . . 63.299999999999997 111.83 174.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -90.37 6.98 40.88 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.604 0.594 . . . . 75.140000000000001 112.604 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.93 121.1 14.78 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.859 0.464 . . . . 74.310000000000002 111.169 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -78.94 128.74 75.54 Favored Pre-proline 0 N--CA 1.463 0.218 0 CA-C-N 115.308 -0.86 . . . . 64.25 112.244 -169.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -71.91 113.31 3.63 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.611 2.207 . . . . 52.340000000000003 112.003 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -74.52 159.09 32.68 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.271 -0.422 . . . . 71.120000000000005 110.359 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.2 -5.09 33.3 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.82 -0.627 . . . . 73.409999999999997 111.709 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -73.16 -24.78 60.61 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.399 1.08 . . . . 53.43 111.159 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.5 -14.34 35.91 Favored Glycine 0 C--N 1.343 0.929 0 N-CA-C 115.02 0.768 . . . . 42.340000000000003 115.02 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 23.3 mt-10 -116.83 -26.52 6.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.943 0.871 . . . . 64.109999999999999 110.487 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.4 m -95.58 146.02 24.78 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.336 -0.847 . . . . 62.25 111.75 -170.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.426 ' CD1' HD13 ' A' ' 10' ' ' LEU . 73.4 m95 -133.91 147.18 51.08 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.094 -0.957 . . . . 74.319999999999993 110.138 -177.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -96.57 112.24 24.06 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 116.624 -0.262 . . . . 73.310000000000002 111.545 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.26 97.42 9.14 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.01 -1.108 . . . . 64.450000000000003 108.01 168.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.24 97.78 8.25 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 122.684 1.231 . . . . 74.530000000000001 109.148 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.5 p -118.26 176.89 5.02 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.931 -1.486 . . . . 55.210000000000001 109.879 -172.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.89 -16.3 80.12 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.759 -0.537 . . . . 72.230000000000004 111.759 173.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -71.82 -43.0 66.35 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.473 0.709 . . . . 60.439999999999998 109.216 169.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.14 -174.41 34.71 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.876 -0.602 . . . . 30.039999999999999 112.019 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.25 122.72 38.23 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 123.072 0.549 . . . . 64.239999999999995 110.563 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.423 ' HB3' HD11 ' A' ' 22' ' ' ILE . 85.1 m-85 -130.39 131.29 45.22 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.627 -0.715 . . . . 74.239999999999995 110.554 -173.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 40.5 tt0 -95.3 102.77 14.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.361 -0.381 . . . . 74.340000000000003 110.862 -177.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.2 mt -91.59 123.25 34.85 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-O 121.255 0.55 . . . . 75.450000000000003 110.511 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 66.6 ttt180 -125.39 118.69 26.44 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.597 -0.729 . . . . 75.219999999999999 110.043 -176.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 2.0 p -83.04 124.35 30.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.398 -1.274 . . . . 43.32 111.105 -177.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.7 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 115.639 -0.71 . . . . 75.099999999999994 109.966 -175.886 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.427 ' O ' ' HH2' ' A' ' 89' ' ' TRP . 30.9 mmm-85 . . . . . 0 N--CA 1.444 -0.749 0 CA-C-O 122.688 1.233 . . . . 74.019999999999996 112.116 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -93.4 -175.6 3.86 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 112.642 -2.072 . . . . 72.239999999999995 107.537 172.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.426 HD21 HD13 ' A' ' 100' ' ' LEU . 52.2 tp -79.38 -11.93 59.92 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 119.974 -0.69 . . . . 72.150000000000006 109.685 168.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.1 tp -68.64 -46.36 69.41 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 122.817 0.447 . . . . 63.009999999999998 111.226 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.13 -20.05 45.85 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 121.233 -0.187 . . . . 70.430000000000007 111.179 176.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -83.56 -19.17 36.09 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 113.777 1.029 . . . . 44.450000000000003 113.777 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.75 -24.85 41.27 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.627 0.649 . . . . 53.399999999999999 109.876 169.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -71.53 -40.11 70.31 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 115.309 -0.859 . . . . 70.209999999999994 111.764 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.7 p -83.89 -17.76 39.7 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 112.188 0.44 . . . . 74.230000000000004 112.188 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 119.05 7.44 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 113.269 0.841 . . . . 73.0 113.269 -174.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -86.08 -35.51 20.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.484 -0.932 . . . . 75.349999999999994 108.484 170.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.471 ' HB3' ' HB2' ' A' ' 103' ' ' LEU . 7.3 ttm -135.49 150.47 49.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.775 -1.102 . . . . 62.420000000000002 108.132 174.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.5 mt -123.72 127.08 47.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.111 0.481 . . . . 63.119999999999997 110.492 175.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 32.3 tt0 -112.03 149.02 32.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.288 -0.869 . . . . 63.130000000000003 110.587 -175.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.565 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 2.4 tt -137.49 118.45 17.3 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 CA-C-O 121.84 0.829 . . . . 72.329999999999998 111.085 175.129 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 62.86 26.48 15.59 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.26 1.424 . . . . 64.439999999999998 112.864 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.67 8.55 65.45 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 121.539 -0.362 . . . . 73.329999999999998 112.849 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 tt -125.83 110.69 13.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.082 -1.081 . . . . 73.120000000000005 108.082 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 4.1 p-80 -89.3 140.22 29.71 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.772 1.027 . . . . 72.019999999999996 113.772 -174.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.89 146.82 29.62 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 113.713 -1.585 . . . . 55.409999999999997 110.741 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 47.3 p-90 -84.45 -26.1 28.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.789 -0.641 . . . . 73.549999999999997 110.454 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -142.08 136.41 30.11 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.964 -0.562 . . . . 64.25 109.571 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -134.76 158.76 43.33 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.023 -0.99 . . . . 70.239999999999995 109.787 171.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -129.33 145.91 51.3 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.621 0.576 . . . . 53.310000000000002 109.765 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.0 mt -115.76 143.63 45.12 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.158 -1.053 . . . . 75.349999999999994 108.158 176.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.548 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 45.9 t-20 -85.73 92.07 8.49 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.617 -0.883 . . . . 74.5 108.617 176.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -72.58 -26.28 61.65 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.874 0.734 . . . . 73.329999999999998 112.054 -176.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -66.6 -39.27 88.31 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 123.996 0.81 . . . . 65.549999999999997 110.84 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.5 tp -81.32 -25.49 36.4 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.963 -0.562 . . . . 72.540000000000006 111.011 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 81.3 mt -78.31 -23.62 47.0 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.304 0.377 . . . . 74.310000000000002 111.655 176.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 27.4 t70 -65.18 -41.96 94.08 Favored 'General case' 0 C--O 1.223 -0.296 0 O-C-N 124.218 0.949 . . . . 63.25 110.002 171.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -79.12 -28.08 42.9 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 124.201 0.938 . . . . 71.239999999999995 111.4 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.83 -36.96 70.37 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.49 0.494 . . . . 61.340000000000003 111.014 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -79.95 -31.05 39.96 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.341 -0.845 . . . . 64.239999999999995 110.197 178.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 38' ' ' ASP . 3.6 tt -61.9 -42.7 99.39 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.968 0.907 . . . . 72.140000000000001 109.854 173.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.65 81.27 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 115.25 -0.886 . . . . 31.02 111.482 176.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.32 83.72 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 111.962 0.356 . . . . 72.010000000000005 111.962 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.68 -27.33 63.94 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.902 0.481 . . . . 74.129999999999995 111.921 175.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.33 5.52 51.28 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.815 0.446 . . . . 62.520000000000003 112.026 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 t70 61.44 35.14 17.83 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 122.783 1.277 . . . . 54.240000000000002 111.126 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -106.32 136.73 19.32 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.106 -0.952 . . . . 73.540000000000006 109.569 177.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -72.8 124.61 9.84 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.14 1.893 . . . . 65.049999999999997 111.148 171.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -105.49 114.44 28.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 75.049999999999997 110.75 -174.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -128.57 118.61 23.29 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.795 -0.639 . . . . 54.240000000000002 109.972 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 p -134.89 146.04 48.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.099 0.476 . . . . 71.340000000000003 111.222 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -98.18 10.44 40.55 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.48 -0.782 . . . . 64.450000000000003 111.543 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -79.29 166.54 22.02 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.676 -0.861 . . . . 52.43 108.676 174.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.1 p-90 -70.52 152.31 44.13 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 109.964 -0.384 . . . . 61.140000000000001 109.964 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.71 -20.88 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-O 121.128 0.49 . . . . 61.340000000000003 111.086 170.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.47 125.12 28.29 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.173 -0.677 . . . . 75.109999999999999 109.173 -173.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.48 108.4 9.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.823 0.344 . . . . 64.25 110.896 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.413 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.4 OUTLIER -106.45 131.33 56.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.258 -0.645 . . . . 41.329999999999998 109.258 177.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -132.05 132.6 43.51 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.6 0.714 . . . . 71.519999999999996 110.534 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.3 t -132.4 157.11 45.37 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.387 -0.824 . . . . 72.219999999999999 111.009 -174.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.0 mt -103.68 108.85 20.32 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.618 -0.719 . . . . 72.219999999999999 110.302 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -110.81 100.43 9.17 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.965 0.888 . . . . 75.209999999999994 110.137 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.97 -99.49 2.23 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.398 -0.819 . . . . 44.350000000000001 111.332 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -128.88 10.05 5.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.904 0.859 . . . . 72.519999999999996 109.471 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -100.31 139.05 36.54 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.66 -1.155 . . . . 73.150000000000006 110.732 -173.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -108.53 103.51 12.64 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.804 -0.634 . . . . 73.299999999999997 109.323 174.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.4 ttm105 -109.4 125.56 52.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.995 -0.548 . . . . 72.099999999999994 110.772 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -116.5 134.58 54.69 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.68 -0.691 . . . . 55.310000000000002 111.046 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.413 ' HB2' HG23 ' A' ' 59' ' ' VAL . 16.5 m-90 -111.35 124.25 51.86 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.716 -1.129 . . . . 74.439999999999998 108.545 173.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -117.34 122.92 45.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.434 0.635 . . . . 65.219999999999999 110.401 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -114.97 141.8 47.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.871 -1.058 . . . . 73.019999999999996 110.688 -174.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 55.7 m -76.8 165.58 24.51 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 124.401 1.063 . . . . 61.020000000000003 110.676 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -68.06 -34.15 75.9 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.875 -0.602 . . . . 74.010000000000005 111.012 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -60.57 -39.68 88.9 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 124.007 0.817 . . . . 74.409999999999997 111.784 173.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.8 -31.57 69.55 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.741 0.651 . . . . 74.439999999999998 112.022 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.6 t -82.69 -23.81 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-O 121.02 0.438 . . . . 75.430000000000007 111.28 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 24.1 mmt -75.82 -36.6 59.62 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.461 -0.336 . . . . 73.120000000000005 110.955 174.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -85.62 2.88 43.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 123.613 0.57 . . . . 73.019999999999996 112.238 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.03 114.16 2.7 Favored 'General case' 0 C--O 1.242 0.693 0 O-C-N 123.803 0.689 . . . . 74.430000000000007 111.023 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 90' ' ' ARG . 37.2 mt-10 -87.11 131.99 42.97 Favored Pre-proline 0 CA--C 1.512 -0.515 0 CA-C-N 114.956 -1.02 . . . . 63.350000000000001 110.5 -172.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -64.5 134.7 42.53 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.227 1.951 . . . . 53.25 111.472 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -101.36 160.88 14.04 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 108.446 -0.946 . . . . 73.319999999999993 108.446 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.73 -5.76 45.09 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.026 0.441 . . . . 74.530000000000001 111.504 176.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -73.75 -24.69 59.92 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.89 0.876 . . . . 73.409999999999997 110.95 172.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.39 -14.31 23.51 Favored Glycine 0 C--N 1.344 1.021 0 N-CA-C 115.137 0.815 . . . . 72.310000000000002 115.137 175.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -116.83 -40.11 3.19 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 117.436 0.618 . . . . 75.150000000000006 110.365 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.5 m -80.57 147.04 30.95 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.892 -0.594 . . . . 24.32 111.325 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.427 ' HH2' ' O ' ' A' ' 8' ' ' ARG . 83.9 m95 -130.66 144.15 51.23 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.513 -0.767 . . . . 74.530000000000001 109.238 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.419 ' HB3' ' HB2' ' A' ' 81' ' ' GLU . 32.3 ttt180 -88.07 97.23 10.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.48 0.657 . . . . 73.329999999999998 109.865 177.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.8 99.38 12.43 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.555 -1.202 . . . . 73.239999999999995 108.426 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 p -92.8 130.34 38.44 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.324 0.583 . . . . 62.310000000000002 110.356 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.2 p -129.52 -178.51 4.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.916 -1.038 . . . . 72.030000000000001 110.716 -176.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.49 -5.46 89.84 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 115.7 -0.682 . . . . 73.209999999999994 111.672 169.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -92.76 -13.29 29.46 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.291 0.636 . . . . 74.310000000000002 110.675 175.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 137.21 -112.09 0.9 Allowed Glycine 0 C--N 1.34 0.757 0 N-CA-C 111.23 -0.748 . . . . 73.519999999999996 111.23 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -157.67 147.04 19.91 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.872 0.469 . . . . 32.149999999999999 109.857 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -133.22 147.81 52.0 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.328 -0.99 . . . . 75.219999999999999 108.328 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.565 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 13.2 tt0 -94.38 100.09 12.18 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.415 -0.587 . . . . 64.230000000000004 109.415 176.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.426 HD13 HD21 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -93.57 109.95 21.56 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.782 -0.822 . . . . 74.25 108.782 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -110.27 120.7 43.29 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.691 -0.686 . . . . 74.329999999999998 109.34 -175.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 3.8 p -82.78 120.31 25.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.364 0.602 . . . . 73.140000000000001 110.563 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 20.7 mt . . . . . 0 CA--C 1.511 -0.556 0 CA-C-N 115.208 -0.905 . . . . 74.239999999999995 111.126 -174.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.3 mtm105 . . . . . 0 CA--C 1.513 -0.457 0 CA-C-O 121.121 0.486 . . . . 74.129999999999995 109.86 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.445 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 72.3 m-85 -74.07 168.54 19.33 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.057 -1.09 . . . . 72.349999999999994 108.057 168.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.504 HD13 ' CD1' ' A' ' 89' ' ' TRP . 56.6 tp -62.42 -25.97 68.24 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 118.142 0.428 . . . . 75.400000000000006 111.271 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.0 -49.51 75.77 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.609 -0.723 . . . . 74.519999999999996 111.163 171.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -63.8 -33.64 76.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.627 0.771 . . . . 73.299999999999997 111.338 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 15.9 mm-40 -66.28 -45.83 79.1 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 114.762 -1.108 . . . . 74.340000000000003 112.379 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.589 HD13 HD22 ' A' ' 32' ' ' LEU . 2.7 pp -74.53 -22.02 59.24 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.98 0.733 . . . . 73.150000000000006 112.98 -174.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.84 -21.87 59.03 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.542 0.526 . . . . 71.129999999999995 112.247 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.0 p -117.06 17.21 14.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.787 0.327 . . . . 52.049999999999997 111.558 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.62 155.75 19.04 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.263 0.554 . . . . 34.109999999999999 112.031 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -123.12 -46.91 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.164 -0.925 . . . . 53.229999999999997 108.916 174.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.566 ' HG3' ' HB2' ' A' ' 103' ' ' LEU . 4.3 ptm -121.15 129.9 53.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.199 -0.91 . . . . 74.209999999999994 110.103 179.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.03 152.53 35.34 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.48 -0.488 . . . . 63.0 110.195 -178.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -129.05 148.51 51.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 75.450000000000003 110.612 177.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.555 HD11 HG21 ' A' ' 59' ' ' VAL . 13.6 mt -124.58 98.03 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 114.818 -1.083 . . . . 60.329999999999998 108.967 170.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 t70 58.56 36.47 25.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.535 1.134 . . . . 62.039999999999999 111.289 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.69 -22.78 35.84 Favored Glycine 0 CA--C 1.524 0.608 0 CA-C-N 115.734 -0.666 . . . . 64.030000000000001 113.486 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 tt -77.68 113.93 16.02 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 107.693 -1.225 . . . . 73.549999999999997 107.693 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -65.96 121.83 15.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.649 -0.705 . . . . 73.310000000000002 111.192 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' HA ' ' OG ' ' A' ' 61' ' ' SER . . . -83.2 112.32 19.75 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.972 -1.122 . . . . 64.140000000000001 107.972 168.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -75.44 -21.68 57.95 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.929 0.395 . . . . 72.450000000000003 111.286 -171.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -146.58 152.73 39.41 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 109.09 -0.707 . . . . 43.310000000000002 109.09 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -143.56 158.78 43.39 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.174 0.511 . . . . 75.450000000000003 109.843 167.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -135.22 140.32 45.18 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.573 -0.899 . . . . 72.319999999999993 108.573 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.589 HD22 HD13 ' A' ' 14' ' ' LEU . 41.2 mt -111.7 149.62 31.35 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.767 -0.651 . . . . 72.530000000000001 109.877 -177.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.521 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.6 t-20 -82.86 89.95 6.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.014 -1.106 . . . . 61.25 108.014 172.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -71.37 -28.43 64.04 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.0 0.92 . . . . 71.25 111.503 -173.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -65.11 -42.21 94.19 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 124.222 0.951 . . . . 63.539999999999999 110.59 175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.1 tp -77.81 -26.22 49.42 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.086 0.554 . . . . 71.530000000000001 111.225 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 67.4 mt -81.86 -23.71 36.2 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.231 -0.441 . . . . 73.439999999999998 111.764 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -65.8 -40.11 91.59 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 108.996 -0.742 . . . . 63.240000000000002 108.996 171.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -73.21 -28.1 61.99 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 114.83 -1.077 . . . . 63.0 111.409 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.77 -17.64 57.3 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.777 0.323 . . . . 75.430000000000007 111.424 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -89.59 -41.52 11.94 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.042 -1.095 . . . . 71.310000000000002 108.042 -175.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.6 mt -61.82 -38.44 88.16 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 112.701 -2.045 . . . . 74.439999999999998 111.853 170.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.42 -38.91 78.1 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.056 -0.52 . . . . 64.129999999999995 111.407 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.46 -35.57 80.89 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.39 0.431 . . . . 65.109999999999999 111.677 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -74.81 -23.32 58.46 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 115.686 -0.688 . . . . 64.129999999999995 112.112 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.94 4.96 53.03 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.549 0.339 . . . . 74.010000000000005 111.852 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.8 t70 69.56 21.38 6.74 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.455 1.502 . . . . 72.109999999999999 112.061 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -103.38 120.04 53.12 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 115.811 -0.632 . . . . 53.43 109.886 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.58 125.22 15.66 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.17 1.914 . . . . 63.200000000000003 110.272 167.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -92.72 128.11 38.47 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.73 -0.47 . . . . 72.129999999999995 109.73 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.25 120.15 18.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.736 -0.666 . . . . 74.230000000000004 109.61 176.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.2 t -131.32 145.81 52.02 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.741 -0.663 . . . . 72.420000000000002 109.681 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -102.29 15.85 27.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.875 0.369 . . . . 73.030000000000001 110.866 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.79 -176.98 6.46 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.8 -0.815 . . . . 62.520000000000003 108.8 173.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -81.54 156.22 25.35 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 109.627 -0.508 . . . . 74.099999999999994 109.627 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 p -137.91 -26.75 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 120.378 -0.529 . . . . 74.239999999999995 111.855 172.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -138.49 113.78 9.5 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.39 0.614 . . . . 63.130000000000003 110.149 -169.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.27 105.86 13.03 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.153 -0.93 . . . . 64.209999999999994 109.245 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.555 HG21 HD11 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -101.96 120.97 52.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.351 -0.841 . . . . 74.409999999999997 110.619 -176.516 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -107.67 132.36 53.42 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.341 -0.845 . . . . 54.5 109.851 -178.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.45 ' OG ' ' HA ' ' A' ' 27' ' ' ALA . 20.0 m -127.09 144.37 51.05 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.328 -0.851 . . . . 70.319999999999993 109.813 176.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -101.44 105.25 16.24 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.918 0.866 . . . . 74.319999999999993 108.88 172.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.505 ' O ' ' HB ' ' A' ' 66' ' ' THR . 33.7 t70 -105.64 97.75 7.54 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.213 -1.358 . . . . 74.519999999999996 110.246 -170.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.78 -100.69 2.1 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.473 -1.051 . . . . 73.310000000000002 110.473 -174.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -132.4 27.93 4.39 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 122.135 0.969 . . . . 72.510000000000005 109.152 166.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.505 ' HB ' ' O ' ' A' ' 63' ' ' ASP . 5.4 m -109.58 135.52 50.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.098 -1.41 . . . . 71.510000000000005 110.27 -176.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -98.89 102.84 14.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.239 -0.652 . . . . 71.340000000000003 109.239 176.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -119.2 128.49 54.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.414 -0.812 . . . . 75.120000000000005 110.861 -172.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.69 149.28 50.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.454 0.645 . . . . 71.200000000000003 111.878 -177.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 -122.98 127.36 48.73 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.206 -0.907 . . . . 74.430000000000007 109.083 175.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -107.96 116.05 31.24 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.622 -0.51 . . . . 74.120000000000005 109.622 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -103.83 141.57 35.89 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.987 -0.745 . . . . 71.010000000000005 108.987 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.9 m -75.98 161.97 28.47 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.184 -0.916 . . . . 43.439999999999998 110.723 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.428 ' O ' ' HG2' ' A' ' 78' ' ' MET . 43.7 t80 -60.69 -40.67 93.06 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.0 -1.0 . . . . 74.230000000000004 109.923 174.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.41 -46.33 90.57 Favored 'General case' 0 C--O 1.221 -0.439 0 O-C-N 124.206 0.941 . . . . 63.43 112.064 177.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.75 -44.12 97.52 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 124.146 0.904 . . . . 72.230000000000004 111.965 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.7 t -62.83 -36.37 75.22 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 124.01 0.924 . . . . 35.219999999999999 112.681 177.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 74' ' ' TYR . 98.3 mmm -76.36 -35.98 58.42 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.377 0.51 . . . . 73.519999999999996 112.377 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -92.58 6.13 48.4 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 111.911 0.337 . . . . 72.120000000000005 111.911 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.56 128.53 36.44 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.668 -0.696 . . . . 75.430000000000007 110.569 174.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.0 123.95 86.14 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.111 -0.95 . . . . 71.450000000000003 111.522 -170.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -69.4 118.94 5.99 Favored 'Trans proline' 0 C--N 1.358 1.067 0 C-N-CA 122.24 1.96 . . . . 52.43 111.505 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -79.51 161.61 25.92 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.652 -0.869 . . . . 71.109999999999999 108.652 177.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.65 -13.52 62.35 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.262 0.467 . . . . 63.32 112.262 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -67.08 -25.37 66.2 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.473 1.109 . . . . 63.409999999999997 111.214 172.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.65 -12.93 31.91 Favored Glycine 0 C--N 1.345 1.05 0 N-CA-C 114.923 0.729 . . . . 51.130000000000003 114.923 174.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -117.97 -27.68 6.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.156 0.478 . . . . 74.340000000000003 110.874 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.3 m -92.55 147.12 23.14 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.021 -0.536 . . . . 73.010000000000005 110.579 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.504 ' CD1' HD13 ' A' ' 10' ' ' LEU . 74.7 m95 -131.23 137.06 48.75 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.475 -0.784 . . . . 74.209999999999994 109.917 -176.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.435 ' CZ ' ' HB ' ' A' ' 92' ' ' THR . 4.0 tmt_? -95.62 108.11 20.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.512 0.673 . . . . 55.009999999999998 109.445 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 4.2 mm? -91.99 120.15 32.38 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 114.603 -1.181 . . . . 55.399999999999999 108.893 177.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.435 ' HB ' ' CZ ' ' A' ' 90' ' ' ARG . 5.2 t -115.26 99.39 7.37 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 123.145 1.45 . . . . 75.219999999999999 110.922 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.8 p -115.17 -179.52 3.65 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.987 -1.46 . . . . 74.140000000000001 110.294 -170.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.08 -14.54 82.17 Favored Glycine 0 C--N 1.342 0.885 0 N-CA-C 111.479 -0.649 . . . . 73.310000000000002 111.479 175.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -78.91 -50.2 11.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.518 -0.549 . . . . 75.430000000000007 109.518 169.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.09 -159.31 30.26 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-N 115.908 -0.587 . . . . 44.549999999999997 112.981 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.534 ' HA ' ' O ' ' A' ' 91' ' ' LEU . . . -94.26 122.76 37.13 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.888 -0.656 . . . . 65.219999999999999 110.842 -178.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -124.87 135.83 53.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.07 -0.968 . . . . 72.019999999999996 109.691 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 11.5 tt0 -96.68 103.39 15.3 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.583 -0.447 . . . . 73.109999999999999 109.96 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.1 mt -91.95 112.23 24.08 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.444 -0.576 . . . . 63.119999999999997 109.444 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -117.41 111.82 19.84 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.384 -0.599 . . . . 75.140000000000001 109.384 173.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 79.7 m -83.67 111.95 19.6 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.847 -1.07 . . . . 53.130000000000003 110.696 -178.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.566 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 79.2 mt . . . . . 0 C--N 1.31 -1.119 0 CA-C-N 114.423 -1.262 . . . . 71.25 108.976 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.416 ' HB3' ' OE2' ' A' ' 13' ' ' GLU . 61.7 mtp180 . . . . . 0 C--O 1.218 -0.577 0 N-CA-C 109.277 -0.638 . . . . 73.540000000000006 109.277 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.469 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 54.5 m-85 -73.88 157.27 36.6 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.043 -0.981 . . . . 65.129999999999995 109.299 176.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.531 HD13 ' CD1' ' A' ' 89' ' ' TRP . 50.1 tp -67.05 -25.9 66.48 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.354 0.525 . . . . 75.549999999999997 110.741 176.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.4 tp -62.5 -41.12 98.61 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.033 0.444 . . . . 63.009999999999998 110.929 170.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.13 -29.72 60.62 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.8 -0.636 . . . . 73.430000000000007 110.671 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 77.6 mm-40 -67.03 -49.02 66.58 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 123.032 0.533 . . . . 63.399999999999999 111.949 178.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.63 -22.75 65.32 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.655 0.613 . . . . 74.319999999999993 112.655 -173.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -70.22 -18.21 63.16 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.578 0.751 . . . . 72.400000000000006 112.158 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -128.32 11.16 6.35 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.332 0.494 . . . . 64.049999999999997 112.332 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.55 135.55 44.93 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.738 -0.21 . . . . 74.519999999999996 110.602 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -98.24 -27.07 14.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.614 0.721 . . . . 74.310000000000002 109.739 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 33.0 ttp -131.75 143.6 50.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.98 -1.009 . . . . 61.109999999999999 109.955 -170.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mt -134.95 155.2 51.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.443 -0.577 . . . . 61.030000000000001 109.443 176.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -133.05 152.05 51.99 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.252 -1.018 . . . . 62.210000000000001 108.252 171.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.648 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 7.1 tt -131.63 115.95 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-O 122.174 0.987 . . . . 71.140000000000001 111.578 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.416 ' HA ' ' HB3' ' A' ' 99' ' ' GLN . 35.4 m-20 60.63 23.0 12.8 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.39 1.476 . . . . 72.219999999999999 112.274 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.85 -11.53 66.16 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 116.486 -0.325 . . . . 72.040000000000006 113.248 -177.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 tt -89.15 122.33 32.34 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 107.938 -1.134 . . . . 72.150000000000006 107.938 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -74.72 124.06 26.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.805 -0.634 . . . . 70.019999999999996 112.157 -171.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.94 128.89 38.96 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.88 -0.6 . . . . 72.530000000000001 109.696 171.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.6 p-90 -88.67 -25.14 22.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.232 0.539 . . . . 73.209999999999994 110.484 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -142.63 138.36 30.65 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.879 -0.601 . . . . 75.010000000000005 110.031 -175.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -135.47 152.55 51.46 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.31 0.576 . . . . 75.340000000000003 110.547 168.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -111.35 140.98 45.48 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.938 -1.028 . . . . 54.450000000000003 109.404 -176.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 mt -113.81 135.69 53.68 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.91 -0.586 . . . . 72.420000000000002 109.846 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -78.36 89.02 4.36 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 108.698 -0.853 . . . . 65.150000000000006 108.698 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.77 -21.98 56.88 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 122.448 0.299 . . . . 64.310000000000002 111.53 -172.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -64.87 -46.77 80.43 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.277 0.631 . . . . 73.439999999999998 110.567 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 tp -80.51 -28.76 37.36 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.579 -0.737 . . . . 75.409999999999997 111.425 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.6 mt -77.1 -25.23 51.98 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.726 0.41 . . . . 60.149999999999999 112.016 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.27 -37.47 83.49 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 109.827 -0.434 . . . . 72.329999999999998 109.827 173.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -79.61 -25.53 41.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.846 -0.615 . . . . 74.349999999999994 112.072 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.18 -42.02 69.57 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.026 -0.534 . . . . 73.310000000000002 111.075 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.72 -29.19 40.59 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.969 -0.559 . . . . 74.219999999999999 110.336 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.0 tt -56.87 -46.73 81.64 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.012 0.925 . . . . 75.150000000000006 110.711 171.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.51 -41.15 69.57 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.31 -0.859 . . . . 55.399999999999999 110.966 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.93 77.07 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.654 0.613 . . . . 74.230000000000004 112.654 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.24 -18.06 61.85 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 122.725 0.41 . . . . 64.140000000000001 111.692 175.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.76 8.89 43.9 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 111.656 0.243 . . . . 74.25 111.656 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 63.77 34.78 11.72 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.067 1.347 . . . . 45.420000000000002 111.219 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 87.1 mt-30 -113.26 123.69 32.91 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.323 -0.853 . . . . 74.25 109.478 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 48' ' ' GLN . 10.3 Cg_exo -68.49 123.28 10.33 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 121.906 1.737 . . . . 63.329999999999998 111.796 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -94.84 132.44 39.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.326 -0.62 . . . . 72.030000000000001 109.326 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.21 121.55 13.98 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.995 -0.548 . . . . 74.319999999999993 110.656 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 74' ' ' TYR . 46.9 t -139.42 145.4 38.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.274 -0.876 . . . . 60.130000000000003 110.059 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -102.37 12.98 35.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 73.329999999999998 110.917 174.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -79.41 170.65 16.28 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 108.187 -1.042 . . . . 72.430000000000007 108.187 172.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.0 p-90 -73.71 156.2 38.15 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.145 0.497 . . . . 72.329999999999998 109.671 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 p -140.68 -22.16 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 121.129 0.49 . . . . 74.439999999999998 111.733 172.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -133.87 126.25 30.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.106 -0.702 . . . . 65.150000000000006 109.106 -172.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 70' ' ' TRP . . . -130.54 106.49 8.55 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 120.548 0.214 . . . . 75.530000000000001 111.214 173.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -100.4 118.69 47.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-O 120.716 0.293 . . . . 72.120000000000005 110.894 -176.902 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -101.13 119.5 38.83 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.514 -0.551 . . . . 75.150000000000006 109.514 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.6 m -124.72 142.6 51.28 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.17 -0.923 . . . . 70.219999999999999 109.576 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.487 ' HA ' ' O ' ' A' ' 66' ' ' THR . 9.6 mp -95.99 117.44 30.67 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.119 0.485 . . . . 55.310000000000002 110.143 176.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -106.65 99.86 9.41 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-O 122.332 1.063 . . . . 54.409999999999997 108.843 172.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.38 -107.0 2.77 Favored Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 110.466 -1.054 . . . . 74.409999999999997 110.466 -169.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -123.36 8.43 9.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.691 0.758 . . . . 74.030000000000001 109.147 170.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.487 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 11.5 m -86.18 127.1 34.67 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 114.696 -1.138 . . . . 50.450000000000003 110.783 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -92.78 99.83 12.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.351 0.596 . . . . 72.299999999999997 110.275 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -98.99 118.19 35.21 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.732 -1.122 . . . . 71.019999999999996 109.365 -175.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.494 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -116.74 140.75 49.06 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.138 -0.625 . . . . 74.430000000000007 111.422 179.28 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.426 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 19.6 m-90 -115.45 123.16 47.89 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.862 -0.792 . . . . 74.299999999999997 108.862 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -108.68 117.59 34.57 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.876 -0.416 . . . . 74.0 109.876 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -107.76 146.81 31.67 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.318 -0.855 . . . . 75.239999999999995 111.288 -174.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 m -72.36 158.97 34.79 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.266 0.979 . . . . 71.109999999999999 110.731 177.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 52' ' ' SER . 83.9 t80 -62.59 -44.73 95.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.698 -0.683 . . . . 74.400000000000006 111.556 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -64.25 -31.21 72.33 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.652 0.612 . . . . 74.140000000000001 112.652 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.04 -33.88 75.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.973 0.509 . . . . 50.210000000000001 111.884 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.0 t -76.7 -30.47 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 116.252 -0.431 . . . . 74.510000000000005 110.342 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.2 mmt -66.75 -37.02 83.82 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.499 0.555 . . . . 64.5 112.499 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -92.27 7.26 43.53 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.47 0.545 . . . . 73.510000000000005 112.47 -176.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 90' ' ' ARG . . . -59.13 124.55 20.32 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.531 0.567 . . . . 54.350000000000001 112.531 177.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -92.06 135.05 27.64 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 115.47 -0.786 . . . . 74.120000000000005 111.593 -174.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -70.48 120.72 7.34 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.249 1.966 . . . . 52.43 112.548 175.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -80.55 173.38 12.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.391 -0.822 . . . . 75.530000000000001 109.877 176.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.27 -12.23 60.24 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 121.021 0.439 . . . . 74.5 111.836 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.65 -22.54 62.49 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.789 0.836 . . . . 73.150000000000006 111.122 171.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.73 -16.46 14.74 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 114.602 0.601 . . . . 71.040000000000006 114.602 174.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -122.6 -6.66 8.63 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 117.715 0.758 . . . . 71.030000000000001 110.24 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.7 m -96.66 144.99 26.17 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.96 -0.563 . . . . 75.299999999999997 110.139 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.531 ' CD1' HD13 ' A' ' 10' ' ' LEU . 43.5 m95 -131.92 146.54 52.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.473 -0.785 . . . . 73.010000000000005 110.341 -174.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 80' ' ' ALA . 80.0 mtt180 -91.45 108.65 20.04 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.898 -0.408 . . . . 73.519999999999996 109.898 170.56 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -89.31 99.61 12.57 Favored 'General case' 0 N--CA 1.438 -1.062 0 N-CA-C 107.205 -1.406 . . . . 71.409999999999997 107.205 176.295 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.6 p -95.59 114.35 26.09 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.595 -1.184 . . . . 74.239999999999995 110.777 -170.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.1 p -118.56 -173.87 2.56 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.015 -0.993 . . . . 75.549999999999997 109.975 -176.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.04 -22.34 78.02 Favored Glycine 0 CA--C 1.523 0.563 0 CA-C-N 116.087 -0.506 . . . . 64.310000000000002 112.115 171.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -73.77 -38.84 64.55 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.125 0.57 . . . . 72.219999999999999 110.397 175.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.15 -112.09 0.51 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.04 -0.6 . . . . 70.040000000000006 112.521 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.12 138.29 18.33 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.044 -0.354 . . . . 70.540000000000006 110.044 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.483 ' HB3' HD11 ' A' ' 22' ' ' ILE . 97.5 m-85 -131.27 130.89 43.4 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 123.734 0.814 . . . . 61.049999999999997 109.352 -176.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.648 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 18.7 tt0 -85.62 102.1 13.27 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 120.694 -0.402 . . . . 72.310000000000002 111.558 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.8 mt -93.23 123.21 36.35 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 109.292 -0.633 . . . . 65.420000000000002 109.292 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -117.17 121.19 40.54 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.091 0.472 . . . . 73.239999999999995 110.117 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.0 p -82.92 127.52 33.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.011 -0.995 . . . . 72.140000000000001 110.934 -175.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 57.7 mt . . . . . 0 C--N 1.322 -0.605 0 N-CA-C 108.485 -0.932 . . . . 74.349999999999994 108.485 -178.887 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 . . . . . 0 N--CA 1.439 -1.015 0 N-CA-C 108.895 -0.78 . . . . 75.0 108.895 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.529 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 79.0 m-85 -89.93 173.47 8.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.352 -1.294 . . . . 70.430000000000007 108.231 171.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.502 HD13 ' CD1' ' A' ' 89' ' ' TRP . 51.4 tp -61.0 -32.66 72.23 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.348 0.405 . . . . 71.219999999999999 111.061 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.452 HD11 HD22 ' A' ' 37' ' ' LEU . 52.6 tp -55.53 -47.75 75.79 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 124.381 1.051 . . . . 61.229999999999997 111.987 173.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -77.28 -24.1 51.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.938 -0.574 . . . . 61.509999999999998 110.955 -177.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 46.6 mm-40 -75.36 -37.57 60.56 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 115.733 -0.667 . . . . 74.109999999999999 112.555 -178.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.552 HD13 HD22 ' A' ' 32' ' ' LEU . 3.1 pp -71.71 -24.75 61.85 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.916 0.388 . . . . 74.209999999999994 111.912 -178.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -80.71 -19.46 45.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.3 -0.864 . . . . 72.340000000000003 112.163 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.9 p -113.48 10.98 18.3 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.638 0.256 . . . . 74.400000000000006 111.679 -178.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.592 ' HB2' ' HB3' ' A' ' 102' ' ' CYS . . . -100.02 154.43 18.4 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.305 -0.407 . . . . 52.140000000000001 111.666 -176.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -102.04 -34.29 9.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.111 -0.495 . . . . 65.209999999999994 109.85 174.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.429 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 46.2 mtm -131.69 163.63 27.71 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.803 -0.635 . . . . 34.140000000000001 109.545 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.36 129.95 45.44 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.512 -0.921 . . . . 72.420000000000002 108.512 172.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -117.69 130.34 56.28 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.548 -0.908 . . . . 61.43 108.548 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.565 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.3 tt -124.62 113.28 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 CA-C-O 121.937 0.875 . . . . 63.130000000000003 111.998 -172.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 t70 61.03 27.11 17.0 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 114.389 -1.278 . . . . 34.049999999999997 111.796 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.11 0.21 63.69 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.729 -0.669 . . . . 25.23 113.183 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.3 tp -111.64 115.69 29.55 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.751 -0.462 . . . . 73.109999999999999 109.751 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -68.11 116.84 9.19 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.025 -0.534 . . . . 64.099999999999994 110.967 -177.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.82 125.28 29.1 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 108.092 -1.077 . . . . 64.439999999999998 108.092 168.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -21.16 58.51 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 123.597 0.561 . . . . 63.229999999999997 111.755 -172.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -158.74 173.27 16.81 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.092 -0.707 . . . . 65.120000000000005 109.092 169.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -147.42 161.24 41.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.534 -0.757 . . . . 74.420000000000002 110.667 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 5.9 mm-40 -127.36 138.8 53.11 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 115.804 -0.635 . . . . 74.310000000000002 109.599 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.552 HD22 HD13 ' A' ' 14' ' ' LEU . 48.0 mt -118.81 136.88 53.76 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.057 -0.974 . . . . 71.420000000000002 109.478 -177.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.559 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 55.6 t30 -85.63 89.1 7.64 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.734 -0.469 . . . . 75.420000000000002 109.734 177.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -68.6 -30.12 68.79 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.723 -1.126 . . . . 75.319999999999993 112.541 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -57.58 -43.49 84.62 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 124.219 0.95 . . . . 64.409999999999997 111.302 173.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.4 tp -81.7 -23.86 36.55 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.063 -0.517 . . . . 75.519999999999996 110.985 -178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 38.5 mt -76.37 -27.06 56.25 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.246 -0.434 . . . . 64.219999999999999 111.337 177.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.19 -47.4 77.07 Favored 'General case' 0 C--O 1.221 -0.441 0 O-C-N 123.832 0.708 . . . . 52.409999999999997 109.756 172.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -69.66 -28.69 66.09 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 124.117 0.885 . . . . 75.239999999999995 111.538 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.45 -48.12 70.98 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.818 0.699 . . . . 53.229999999999997 111.802 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.21 -29.59 61.8 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.989 -0.551 . . . . 71.099999999999994 111.237 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 tt -60.9 -47.94 84.11 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.46 1.104 . . . . 72.25 110.548 174.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.8 -34.58 64.69 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.984 -0.553 . . . . 52.520000000000003 111.267 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.54 -33.41 75.84 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.863 0.363 . . . . 74.409999999999997 111.787 178.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -80.12 -5.0 55.2 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.873 -0.603 . . . . 74.140000000000001 112.265 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.28 9.99 35.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.635 -0.257 . . . . 53.549999999999997 110.695 171.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 t70 71.58 12.47 6.44 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 124.701 1.2 . . . . 63.350000000000001 111.388 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -101.67 122.45 47.62 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.624 -0.716 . . . . 63.539999999999999 110.164 -174.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -63.79 125.05 14.64 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.789 2.326 . . . . 71.420000000000002 112.529 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -98.9 126.46 44.58 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.66 -0.7 . . . . 74.129999999999995 109.675 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -142.67 119.48 11.2 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.283 -0.636 . . . . 73.310000000000002 109.283 173.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.1 t -128.31 140.25 51.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.737 -0.665 . . . . 45.32 109.754 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -94.63 17.22 13.75 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 120.843 0.354 . . . . 65.400000000000006 111.145 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -85.21 168.62 14.6 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 107.882 -1.155 . . . . 74.099999999999994 107.882 167.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 4.9 p-90 -73.6 156.22 38.28 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.887 0.375 . . . . 71.129999999999995 110.74 -175.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.36 -27.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.359 -0.382 . . . . 73.340000000000003 111.304 171.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.73 131.01 51.44 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.569 0.7 . . . . 75.409999999999997 111.622 -171.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' A' ' 31' ' ' GLU . . . -131.54 102.74 6.05 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 114.443 -1.253 . . . . 55.039999999999999 109.657 169.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.491 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -102.92 137.06 32.51 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 107.546 -1.279 . . . . 72.129999999999995 107.546 176.457 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -134.4 148.47 50.66 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.772 -0.371 . . . . 72.109999999999999 110.536 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.5 t -145.3 121.56 10.88 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.217 -0.901 . . . . 71.409999999999997 109.44 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.7 mt -94.9 105.83 17.78 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.068 -1.086 . . . . 74.25 108.068 166.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.466 ' O ' HG22 ' A' ' 66' ' ' THR . 18.1 t70 -97.78 96.17 8.05 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 108.461 -0.94 . . . . 75.040000000000006 108.461 -178.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.74 -98.01 1.14 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.575 -1.01 . . . . 72.340000000000003 110.575 -169.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -129.83 4.34 4.96 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.251 0.22 . . . . 73.420000000000002 111.067 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 63' ' ' ASP . 11.7 t -90.83 149.41 21.97 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 110.22 -0.289 . . . . 74.420000000000002 110.22 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.82 131.82 54.71 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.503 0.668 . . . . 73.25 111.177 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -131.65 117.12 18.25 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.925 -1.034 . . . . 71.129999999999995 109.335 175.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -127.56 133.56 49.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.315 -0.624 . . . . 65.340000000000003 109.315 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.491 ' HB2' HG23 ' A' ' 59' ' ' VAL . 8.4 m-90 -117.12 123.32 46.48 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 108.612 -0.885 . . . . 73.420000000000002 108.612 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -109.65 116.85 32.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.608 -0.724 . . . . 72.340000000000003 109.845 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -114.63 142.98 45.75 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.994 -0.548 . . . . 72.109999999999999 110.452 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 66.3 p -82.06 163.69 21.89 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 124.191 0.932 . . . . 73.019999999999996 109.942 174.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -66.49 -32.28 73.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.923 -0.58 . . . . 74.200000000000003 110.528 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -67.33 -35.13 78.78 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 115.042 -0.981 . . . . 63.210000000000001 110.735 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.73 63.75 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 123.687 0.617 . . . . 51.299999999999997 112.119 177.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.5 t -70.76 -26.19 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.254 0.622 . . . . 74.049999999999997 110.942 173.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.4 mmt -74.21 -26.34 60.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.088 -0.506 . . . . 72.329999999999998 111.599 171.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.54 11.01 32.42 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.167 0.587 . . . . 74.140000000000001 111.631 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.35 117.62 17.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.869 -0.605 . . . . 54.509999999999998 110.858 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -80.95 128.33 71.64 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 114.479 -1.237 . . . . 72.420000000000002 110.163 -175.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -66.37 121.83 9.19 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 121.661 1.574 . . . . 74.140000000000001 111.692 173.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -86.78 168.16 13.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.012 -0.54 . . . . 73.530000000000001 110.123 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.53 -16.08 62.32 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.485 0.55 . . . . 54.109999999999999 112.485 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.66 -23.82 62.58 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.466 0.706 . . . . 61.43 111.279 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.91 -14.64 25.21 Favored Glycine 0 C--N 1.34 0.804 0 N-CA-C 114.523 0.569 . . . . 74.120000000000005 114.523 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -117.64 -20.28 9.02 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 117.328 0.564 . . . . 72.200000000000003 110.714 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.4 m -90.31 146.88 23.86 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.635 -0.711 . . . . 65.549999999999997 110.332 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.502 ' CD1' HD13 ' A' ' 10' ' ' LEU . 67.3 m95 -127.27 151.23 49.01 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.571 -0.74 . . . . 74.430000000000007 109.63 178.098 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -104.42 100.37 10.07 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.201 -0.666 . . . . 74.0 109.201 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.52 98.83 11.91 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.53 -0.915 . . . . 72.239999999999995 108.53 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.1 p -100.75 119.95 39.37 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.235 -0.893 . . . . 73.310000000000002 110.131 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.1 p -116.42 -179.03 3.56 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.925 -1.034 . . . . 71.109999999999999 108.739 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -76.12 -24.65 68.32 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 120.901 -0.666 . . . . 73.409999999999997 111.484 171.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -75.58 -48.87 20.47 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.338 0.655 . . . . 55.130000000000003 110.096 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -164.14 -152.72 7.07 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.316 -0.469 . . . . 75.010000000000005 113.275 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -148.18 108.95 4.2 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.683 0.793 . . . . 72.25 109.566 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.454 ' HB3' HD11 ' A' ' 22' ' ' ILE . 86.2 m-85 -127.17 129.37 47.74 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 123.597 0.759 . . . . 75.549999999999997 110.278 -165.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.565 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 22.6 tt0 -89.74 105.03 17.53 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.806 -0.358 . . . . 71.120000000000005 111.222 -174.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 38.0 mt -91.07 111.56 23.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.895 0.378 . . . . 61.240000000000002 110.233 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -115.63 122.57 46.0 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.808 -0.812 . . . . 60.350000000000001 108.808 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.592 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 95.3 m -86.22 119.16 26.2 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.663 -0.699 . . . . 70.239999999999995 110.978 -178.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.429 ' HB2' ' HB2' ' A' ' 19' ' ' MET . 2.1 mt . . . . . 0 C--O 1.236 0.374 0 CA-C-N 116.034 -0.53 . . . . 65.409999999999997 110.169 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? . . . . . 0 CA--C 1.514 -0.438 0 CA-C-O 121.74 0.781 . . . . 74.439999999999998 111.82 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.543 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 61.7 m-85 -93.79 149.26 21.38 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.589 -1.187 . . . . 61.109999999999999 108.352 173.04 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.613 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 33.8 tp -64.07 -31.31 72.46 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 123.784 0.677 . . . . 63.0 110.723 176.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.08 -37.85 88.95 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.0 0.37 . . . . 51.549999999999997 112.0 173.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.62 -35.19 79.59 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.837 0.71 . . . . 64.209999999999994 110.609 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 22.2 mm-40 -65.88 -41.25 91.81 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 124.185 0.928 . . . . 73.349999999999994 111.421 178.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 50.3 mt -66.37 -42.19 88.35 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.545 1.153 . . . . 71.319999999999993 111.062 -178.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.18 -29.19 70.32 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.81 -0.632 . . . . 74.219999999999999 112.171 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.3 p -104.35 14.09 30.84 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.617 0.599 . . . . 72.239999999999995 112.617 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.46 128.16 54.55 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 120.826 0.346 . . . . 74.010000000000005 110.886 178.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -84.69 -38.17 20.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.87 0.843 . . . . 70.349999999999994 108.901 174.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.1 ttp -124.79 147.83 48.49 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 113.839 -1.528 . . . . 70.040000000000006 108.793 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.3 tp -139.04 129.58 25.84 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.217 -0.66 . . . . 65.329999999999998 109.217 -177.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -104.42 152.46 22.29 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.921 -0.311 . . . . 75.349999999999994 110.387 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.544 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 14.6 tt -136.46 116.89 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 CA-C-O 121.634 0.73 . . . . 72.239999999999995 111.588 174.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 t70 63.84 20.85 12.41 Favored 'General case' 0 CA--C 1.557 1.228 0 CA-C-N 114.425 -1.261 . . . . 71.109999999999999 112.241 174.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.16 0.39 55.96 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 120.986 -0.626 . . . . 72.400000000000006 113.389 -175.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.2 tp -115.35 116.66 28.65 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.97 0.508 . . . . 75.310000000000002 110.142 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -70.5 120.51 16.25 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 112.622 0.601 . . . . 74.349999999999994 112.622 -176.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.03 136.9 32.77 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.49 -0.323 . . . . 54.200000000000003 110.416 178.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.2 p-90 -83.61 -27.19 29.36 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.089 -0.505 . . . . 74.549999999999997 110.598 -174.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -146.99 149.06 32.39 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.291 -0.633 . . . . 72.0 109.291 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' HB3' HG12 ' A' ' 59' ' ' VAL . 52.8 p90 -139.09 150.3 45.54 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 121.326 0.584 . . . . 64.040000000000006 109.846 169.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -116.19 136.41 53.04 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.08 -0.964 . . . . 73.040000000000006 110.894 -176.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -111.36 136.23 50.78 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.215 -0.902 . . . . 65.340000000000003 109.775 176.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -77.81 102.46 7.22 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.599 -0.889 . . . . 74.140000000000001 108.599 175.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.97 -36.93 75.59 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 124.334 1.021 . . . . 73.120000000000005 111.833 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -62.46 -40.73 97.57 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 123.98 0.8 . . . . 64.25 111.661 176.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.7 tp -79.7 -27.39 40.7 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.487 -0.324 . . . . 64.439999999999998 111.239 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.2 mt -81.83 -17.56 47.0 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 111.954 0.353 . . . . 53.030000000000001 111.954 176.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -68.05 -42.71 80.09 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 109.134 -0.691 . . . . 61.32 109.134 170.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -75.86 -27.39 57.78 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 114.851 -1.068 . . . . 62.329999999999998 111.137 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.17 -44.5 79.56 Favored 'General case' 0 C--O 1.222 -0.351 0 O-C-N 123.514 0.509 . . . . 53.5 111.375 175.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.52 -36.16 73.59 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.388 -0.823 . . . . 72.530000000000001 110.577 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.8 -49.51 76.04 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 124.379 1.05 . . . . 72.439999999999998 110.364 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.3 -36.0 76.58 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.856 0.723 . . . . 74.530000000000001 111.496 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.18 79.66 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 123.337 0.398 . . . . 33.509999999999998 111.527 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.06 -26.9 62.36 Favored 'General case' 0 C--O 1.225 -0.194 0 N-CA-C 112.397 0.517 . . . . 74.519999999999996 112.397 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.77 5.45 32.36 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.593 0.558 . . . . 73.120000000000005 111.334 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 t70 65.73 31.72 9.46 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.998 1.319 . . . . 72.140000000000001 110.822 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -118.43 114.67 36.22 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 114.646 -1.161 . . . . 61.140000000000001 109.273 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.84 124.71 16.92 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.731 2.287 . . . . 64.430000000000007 112.342 169.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.411 ' HD2' ' CZ ' ' A' ' 74' ' ' TYR . 47.6 t80 -93.06 137.96 31.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.31 -0.859 . . . . 71.019999999999996 110.173 -173.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.53 132.01 18.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.067 -0.515 . . . . 62.25 109.795 175.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -144.8 154.83 43.1 Favored 'General case' 0 CA--C 1.518 -0.25 0 C-N-CA 123.028 0.531 . . . . 73.400000000000006 109.669 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -98.61 3.43 47.93 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.212 0.449 . . . . 73.329999999999998 112.212 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.53 163.75 27.59 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.348 -0.612 . . . . 75.540000000000006 109.348 173.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.479 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 8.7 p-90 -68.49 149.58 49.1 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 109.875 -0.417 . . . . 72.430000000000007 109.875 -178.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 p -135.52 -19.68 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.405 -0.518 . . . . 41.299999999999997 111.07 172.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.32 115.57 8.45 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.194 0.521 . . . . 73.340000000000003 110.513 -171.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.86 109.16 13.27 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.461 -0.79 . . . . 74.019999999999996 109.888 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.424 HG12 ' HB3' ' A' ' 30' ' ' PHE . 35.3 m -99.87 135.4 35.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.079 0.466 . . . . 74.099999999999994 110.441 -177.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -110.4 129.09 55.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.037 -0.529 . . . . 74.439999999999998 109.794 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.429 ' HB3' ' CZ3' ' A' ' 70' ' ' TRP . 38.3 t -135.92 132.87 37.04 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.748 -0.834 . . . . 73.219999999999999 108.748 174.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.8 mt -95.37 106.52 18.58 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.377 -0.828 . . . . 74.299999999999997 109.022 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.416 ' O ' HG22 ' A' ' 66' ' ' THR . 4.7 p-10 -96.13 117.05 29.95 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.765 -0.828 . . . . 71.329999999999998 108.765 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.16 -111.54 3.46 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 109.501 -1.44 . . . . 64.209999999999994 109.501 -166.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -132.04 21.38 4.51 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.425 0.29 . . . . 72.230000000000004 110.798 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 63' ' ' ASP . 3.9 t -97.0 160.77 14.15 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.654 0.264 . . . . 74.209999999999994 110.932 -177.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -101.08 120.83 40.79 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.715 -0.476 . . . . 65.129999999999995 109.715 175.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.4 ttm105 -141.82 137.14 31.27 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.794 -0.447 . . . . 73.120000000000005 109.794 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.17 155.4 38.56 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.028 -0.533 . . . . 72.349999999999994 110.681 178.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.429 ' CZ3' ' HB3' ' A' ' 61' ' ' SER . 6.8 m-90 -124.94 122.78 38.34 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.979 -1.489 . . . . 74.219999999999999 106.979 174.175 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -114.13 126.3 54.93 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.197 0.523 . . . . 74.540000000000006 109.639 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -121.4 139.17 53.79 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.36 -0.836 . . . . 54.530000000000001 110.017 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 64.5 p -72.75 163.11 28.61 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.309 -0.859 . . . . 55.439999999999998 110.198 174.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.411 ' CZ ' ' HD2' ' A' ' 50' ' ' PHE . 40.2 t80 -60.08 -34.5 73.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.679 -1.146 . . . . 64.329999999999998 110.334 175.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.437 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 1.1 t30 -74.64 -37.5 62.75 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 114.521 -1.218 . . . . 73.319999999999993 111.69 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.6 -35.46 80.24 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 123.589 0.556 . . . . 71.109999999999999 111.79 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.5 t -70.36 -30.13 41.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 123.706 0.802 . . . . 71.230000000000004 111.285 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.4 mmt -76.26 -25.87 55.4 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.803 0.668 . . . . 51.100000000000001 112.803 174.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 75' ' ' ASN . 52.4 mt-10 -84.1 -6.57 59.43 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 123.49 0.494 . . . . 71.420000000000002 112.264 -179.011 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.466 ' HB2' HD22 ' A' ' 91' ' ' LEU . . . -64.59 120.31 12.12 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.433 1.083 . . . . 73.409999999999997 112.322 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -82.91 133.42 48.61 Favored Pre-proline 0 N--CA 1.444 -0.77 0 CA-C-N 114.189 -1.369 . . . . 53.299999999999997 110.116 -174.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -64.38 129.39 23.84 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 121.978 1.785 . . . . 64.340000000000003 111.666 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -97.42 154.83 17.22 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.801 -0.36 . . . . 52.32 110.106 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.56 -6.15 44.76 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.862 -0.608 . . . . 64.150000000000006 111.677 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -67.67 -22.69 65.28 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 114.988 -1.006 . . . . 74.340000000000003 111.061 172.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.21 -15.58 57.91 Favored Glycine 0 C--N 1.343 0.92 0 N-CA-C 114.939 0.736 . . . . 61.399999999999999 114.939 170.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -136.39 -9.73 1.94 Allowed 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.409 0.605 . . . . 74.140000000000001 111.452 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.1 m -101.8 154.57 18.79 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.075 0.464 . . . . 44.020000000000003 110.71 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.456 ' CD1' HD13 ' A' ' 10' ' ' LEU . 77.2 m95 -133.59 142.23 48.04 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.018 -0.992 . . . . 74.510000000000005 110.188 -176.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 80' ' ' ALA . 7.8 tmm_? -89.66 98.52 11.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.41 -0.814 . . . . 75.409999999999997 109.981 -178.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -93.51 130.19 39.46 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.31 -0.996 . . . . 64.239999999999995 108.31 176.906 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.6 m -133.66 133.11 41.51 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.895 -0.779 . . . . 75.219999999999999 108.895 171.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.1 p -127.07 -173.28 2.85 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 124.215 0.947 . . . . 71.049999999999997 110.237 -175.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.17 -12.51 84.27 Favored Glycine 0 C--N 1.342 0.883 0 O-C-N 123.738 0.649 . . . . 54.020000000000003 112.854 170.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -87.48 -48.97 7.51 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.691 -0.485 . . . . 72.040000000000006 109.691 175.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 171.27 -164.31 37.27 Favored Glycine 0 N--CA 1.446 -0.667 0 O-C-N 123.588 0.555 . . . . 61.140000000000001 112.589 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.53 128.99 55.59 Favored 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 122.981 0.512 . . . . 50.43 110.537 -172.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -130.69 157.95 41.4 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.364 1.066 . . . . 74.209999999999994 109.733 -173.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.544 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 45.7 tt0 -121.95 107.56 12.4 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 121.828 -0.545 . . . . 74.129999999999995 110.903 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.4 mt -92.23 113.18 25.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.186 0.517 . . . . 72.530000000000001 110.633 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -115.79 123.9 49.39 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.57 -0.741 . . . . 72.310000000000002 110.419 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.3 p -84.71 133.6 34.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.541 -0.754 . . . . 72.209999999999994 111.007 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 98.6 mt . . . . . 0 C--O 1.234 0.288 0 CA-C-N 116.024 -0.535 . . . . 64.230000000000004 109.81 178.14 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 121.481 0.658 . . . . 63.439999999999998 110.263 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -86.78 176.61 7.64 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 114.768 -1.106 . . . . 74.319999999999993 108.473 171.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.93 -29.19 69.0 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.758 0.313 . . . . 71.099999999999994 110.569 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.1 tp -70.49 -31.21 68.22 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.492 -0.777 . . . . 74.129999999999995 111.49 174.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -80.12 -26.07 39.63 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.276 0.56 . . . . 64.299999999999997 110.067 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.427 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 32.4 mm-40 -84.6 -24.98 28.93 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 113.572 0.953 . . . . 75.420000000000002 113.572 -176.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pp -78.04 -21.83 50.09 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.592 0.633 . . . . 63.219999999999999 111.966 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -75.77 -26.45 57.38 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.804 -0.634 . . . . 74.540000000000006 111.091 172.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 p -102.86 27.03 7.39 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 116.035 -0.529 . . . . 74.25 110.737 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.48 147.83 50.7 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-O 121.198 0.523 . . . . 64.120000000000005 111.873 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -100.56 -51.52 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.844 -1.071 . . . . 75.439999999999998 109.382 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.543 ' HG3' ' HB2' ' A' ' 103' ' ' LEU . 11.9 ptt? -123.14 152.4 41.17 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.441 -1.254 . . . . 74.049999999999997 109.124 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HG ' ' CD2' ' A' ' 30' ' ' PHE . 20.0 mt -110.3 170.36 8.13 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 109.252 -0.647 . . . . 64.430000000000007 109.252 175.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.498 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 36.7 tt0 -138.43 137.61 37.38 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.557 -0.905 . . . . 72.019999999999996 108.557 174.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.2 mt -120.77 102.04 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.626 -0.509 . . . . 75.209999999999994 109.626 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.6 t70 65.43 30.1 11.02 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.102 1.361 . . . . 65.299999999999997 111.499 173.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.65 -22.19 40.76 Favored Glycine 0 C--O 1.23 -0.119 0 C-N-CA 120.929 -0.653 . . . . 41.229999999999997 112.94 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tt -85.03 109.73 18.42 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.002 -1.11 . . . . 73.329999999999998 108.002 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -68.06 121.56 16.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.029 -0.532 . . . . 75.030000000000001 110.462 -177.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.39 137.83 38.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.186 -0.916 . . . . 51.109999999999999 109.518 176.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -82.07 -33.94 29.64 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 120.784 -0.366 . . . . 74.519999999999996 111.081 -174.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -155.54 137.78 14.78 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.912 -0.403 . . . . 74.510000000000005 109.912 -172.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.431 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 31.9 p90 -125.22 161.84 26.01 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.451 -0.795 . . . . 61.210000000000001 109.852 172.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 47.8 mt-10 -125.63 140.38 52.78 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.728 -0.669 . . . . 64.209999999999994 109.798 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.7 mt -114.88 134.04 55.48 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.804 -0.443 . . . . 72.230000000000004 109.804 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.503 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.0 t-20 -78.76 91.93 4.76 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.561 -0.903 . . . . 73.140000000000001 108.561 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -70.72 -27.31 63.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.303 -0.862 . . . . 50.140000000000001 111.615 -175.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -64.17 -47.4 79.97 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.918 0.887 . . . . 54.32 111.625 173.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.7 tp -72.79 -27.23 61.87 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 122.399 0.28 . . . . 71.140000000000001 110.894 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 54.8 mt -80.1 -20.59 44.73 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 112.361 0.504 . . . . 70.019999999999996 112.361 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -68.51 -39.69 81.12 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 123.629 0.581 . . . . 63.229999999999997 109.767 171.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -76.74 -28.54 55.8 Favored 'General case' 0 C--O 1.224 -0.282 0 O-C-N 124.371 1.044 . . . . 63.119999999999997 111.079 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.7 -33.64 66.6 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-N 115.744 -0.662 . . . . 71.319999999999993 110.901 177.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -76.94 -36.62 56.42 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.427 -0.806 . . . . 60.229999999999997 110.641 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.81 -47.17 87.55 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.794 1.238 . . . . 72.230000000000004 110.255 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.51 80.65 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 124.026 0.829 . . . . 45.439999999999998 111.507 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.52 94.24 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.338 0.399 . . . . 71.120000000000005 111.703 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -74.25 -21.95 59.55 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.962 -0.563 . . . . 75.430000000000007 112.152 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.67 0.81 55.17 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 122.917 0.487 . . . . 75.420000000000002 111.729 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.1 t70 67.52 28.83 7.47 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.617 1.567 . . . . 73.530000000000001 111.894 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -113.04 124.76 30.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.056 -0.975 . . . . 74.140000000000001 109.52 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -58.76 130.31 36.37 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.585 2.19 . . . . 52.310000000000002 111.64 171.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -98.95 127.58 44.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.257 0.551 . . . . 71.409999999999997 110.387 -176.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -133.47 127.52 33.45 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.808 -0.812 . . . . 70.219999999999999 108.808 174.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.2 t -149.14 134.9 18.79 Favored 'General case' 0 C--O 1.222 -0.38 0 O-C-N 123.396 0.435 . . . . 71.349999999999994 110.324 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -91.47 14.27 15.27 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.446 0.535 . . . . 63.140000000000001 112.446 176.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -78.05 157.07 29.71 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 108.34 -0.985 . . . . 61.340000000000003 108.34 169.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.499 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 10.0 p-90 -64.67 149.46 49.01 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.691 0.619 . . . . 72.439999999999998 110.506 -177.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.03 -19.82 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.259 0.552 . . . . 71.549999999999997 110.501 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' A' ' 31' ' ' GLU . 60.2 tp -148.7 111.45 4.8 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-O 121.409 0.623 . . . . 75.430000000000007 111.27 -169.009 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.37 103.69 13.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.581 -0.736 . . . . 14.02 109.208 175.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 t -100.08 124.48 53.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.48 -0.782 . . . . 73.510000000000005 108.938 -173.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -121.64 141.71 50.85 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.457 0.646 . . . . 54.240000000000002 111.123 -177.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.3 m -134.86 153.79 51.91 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.541 -1.209 . . . . 74.030000000000001 109.602 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.43 ' HA ' ' O ' ' A' ' 66' ' ' THR . 6.4 mp -123.38 107.84 12.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.705 -0.225 . . . . 75.450000000000003 111.134 176.196 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -97.71 115.96 28.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.358 -0.979 . . . . 64.25 108.358 171.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.03 -95.83 1.42 Allowed Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.381 -1.088 . . . . 63.009999999999998 110.381 -167.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -151.24 27.37 0.68 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.662 0.785 . . . . 53.450000000000003 111.07 171.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 9.0 t -97.67 146.72 25.05 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.128 -0.629 . . . . 74.030000000000001 110.193 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -93.91 100.05 12.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.048 0.451 . . . . 72.510000000000005 110.084 -176.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -98.95 115.34 28.67 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.867 -0.606 . . . . 74.140000000000001 110.449 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -122.84 130.76 53.27 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.098 -0.501 . . . . 74.239999999999995 110.21 -175.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -121.44 121.94 38.68 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.565 -0.902 . . . . 75.120000000000005 108.565 175.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -102.52 119.56 39.04 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.529 -0.545 . . . . 71.040000000000006 109.529 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -104.81 136.76 43.71 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.051 -0.977 . . . . 72.129999999999995 108.575 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 77.7 p -80.05 166.58 21.4 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.808 -0.633 . . . . 74.120000000000005 110.3 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -61.64 -37.28 83.42 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 115.406 -0.815 . . . . 74.209999999999994 109.768 175.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -68.19 -36.2 79.21 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 124.554 1.159 . . . . 72.439999999999998 111.279 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.87 -40.53 79.25 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.608 0.568 . . . . 73.140000000000001 111.545 176.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 37.5 t -66.23 -30.72 50.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 124.193 0.997 . . . . 72.319999999999993 112.023 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.4 mmt -67.22 -51.67 50.41 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.398 -0.364 . . . . 65.200000000000003 111.675 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -80.65 -1.93 44.43 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.695 0.628 . . . . 72.230000000000004 112.695 -176.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.99 126.8 29.16 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.56 0.695 . . . . 60.149999999999999 110.719 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.461 ' HB3' ' HB3' ' A' ' 90' ' ' ARG . 22.3 tt0 -83.12 129.77 59.78 Favored Pre-proline 0 N--CA 1.44 -0.973 0 CA-C-N 113.52 -1.673 . . . . 73.230000000000004 111.143 -167.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -69.46 122.83 9.59 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.792 1.661 . . . . 71.439999999999998 111.194 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -87.49 166.05 15.07 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.879 -0.6 . . . . 71.510000000000005 109.632 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.94 -4.66 39.41 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.94 -0.573 . . . . 62.509999999999998 112.313 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.95 -24.77 59.69 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.565 0.746 . . . . 74.340000000000003 110.929 172.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.93 -14.49 37.5 Favored Glycine 0 C--N 1.34 0.76 0 N-CA-C 115.392 0.917 . . . . 55.409999999999997 115.392 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -125.39 -20.73 4.71 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 117.465 0.633 . . . . 71.030000000000001 110.802 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.6 m -89.79 146.79 24.22 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.949 -0.569 . . . . 53.399999999999999 110.797 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -128.4 158.98 36.79 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 114.622 -1.172 . . . . 74.230000000000004 109.824 -175.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.461 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 68.2 ttt180 -120.06 103.17 9.06 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 121.282 0.563 . . . . 71.409999999999997 110.565 -175.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.02 135.8 33.5 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.87 -1.059 . . . . 75.030000000000001 108.415 172.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.9 t -125.94 130.15 50.69 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.453 -0.943 . . . . 71.109999999999999 108.453 172.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 76.9 p -129.18 -174.73 3.35 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.748 -0.66 . . . . 71.239999999999995 109.331 -175.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.47 -20.21 78.77 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.079 -0.581 . . . . 71.329999999999998 112.535 174.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.01 -45.76 19.55 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 122.845 0.458 . . . . 75.519999999999996 109.786 177.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.17 -117.42 0.63 Allowed Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.974 -0.632 . . . . 73.239999999999995 112.725 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -142.23 151.56 42.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 122.928 0.491 . . . . 54.420000000000002 109.739 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -139.91 121.31 15.03 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 109.263 -0.643 . . . . 72.409999999999997 109.263 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -90.37 108.86 20.04 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 119.968 -0.693 . . . . 73.420000000000002 109.457 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.498 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 10.3 mt -95.27 109.03 21.21 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 120.614 0.245 . . . . 71.129999999999995 111.408 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -104.95 128.83 53.38 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.259 -0.576 . . . . 74.519999999999996 110.227 174.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 63.9 m -85.59 132.96 34.08 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.953 -1.021 . . . . 62.329999999999998 110.953 -178.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.543 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 87.9 mt . . . . . 0 C--O 1.224 -0.279 0 CA-C-N 115.431 -0.804 . . . . 52.439999999999998 110.542 -168.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 . . . . . 0 CA--C 1.501 -0.915 0 N-CA-C 107.225 -1.398 . . . . 60.219999999999999 107.225 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -74.22 172.9 10.96 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.372 -1.285 . . . . 72.450000000000003 109.019 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.429 HD13 ' CD1' ' A' ' 89' ' ' TRP . 54.5 tp -62.68 -31.64 72.57 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.973 -0.291 . . . . 74.400000000000006 110.698 174.455 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.48 HD11 HD22 ' A' ' 37' ' ' LEU . 66.9 tp -61.11 -41.29 96.43 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 124.098 0.874 . . . . 73.25 112.26 173.09 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -80.06 -25.76 39.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.77 0.319 . . . . 71.340000000000003 110.903 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -80.82 -27.33 36.58 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 113.529 0.937 . . . . 74.329999999999998 113.529 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.458 HD22 HD21 ' A' ' 57' ' ' LEU . 2.9 pp -75.34 -21.32 58.47 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.532 0.606 . . . . 72.019999999999996 111.472 179.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -76.77 -33.22 58.07 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.7 -0.682 . . . . 71.200000000000003 110.963 175.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 p -98.12 -5.89 32.72 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.929 0.714 . . . . 61.43 112.929 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.77 136.92 32.78 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 120.782 0.325 . . . . 41.299999999999997 110.798 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.84 -34.44 11.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.42 -0.809 . . . . 72.420000000000002 110.176 175.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 19.1 ttt -118.16 141.39 48.54 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.585 -0.734 . . . . 72.540000000000006 109.268 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 tp -132.93 125.42 29.79 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.985 -0.746 . . . . 53.43 108.985 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -115.03 148.52 38.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.117 -0.492 . . . . 74.319999999999993 110.624 -175.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 52.5 mt -123.52 96.55 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 121.018 0.437 . . . . 64.5 110.18 173.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.2 t70 50.75 63.3 2.28 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 113.931 -1.486 . . . . 61.219999999999999 113.186 173.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.7 0.68 69.05 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 115.331 -0.849 . . . . 64.319999999999993 114.218 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.1 tp -120.68 108.24 13.76 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 108.568 -0.901 . . . . 63.140000000000001 108.568 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -70.74 132.39 45.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.345 -0.389 . . . . 73.25 110.528 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.51 125.14 28.87 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.659 -1.237 . . . . 51.200000000000003 107.659 171.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -75.09 -27.62 59.97 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.743 0.306 . . . . 74.219999999999999 110.646 -172.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -150.31 165.04 34.24 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.421 -0.955 . . . . 72.549999999999997 108.421 171.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -146.0 167.48 23.23 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.031 0.443 . . . . 74.530000000000001 111.164 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -137.52 128.33 27.14 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.788 -0.642 . . . . 73.430000000000007 109.631 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.5 mt -102.82 133.2 48.28 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 107.783 -1.191 . . . . 73.030000000000001 107.783 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.507 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 42.4 t-20 -75.21 93.31 2.81 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 109.329 -0.619 . . . . 72.310000000000002 109.329 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.94 -35.95 82.82 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.088 0.955 . . . . 73.129999999999995 112.413 -174.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -64.09 -43.43 95.42 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 124.164 0.915 . . . . 73.120000000000005 111.8 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.8 tp -79.2 -25.48 42.72 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.587 -0.278 . . . . 71.200000000000003 111.335 -178.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 18.1 mt -82.67 -18.05 42.38 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 111.847 0.314 . . . . 73.140000000000001 111.847 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 19.2 t70 -68.85 -42.32 77.24 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 109.339 -0.615 . . . . 64.030000000000001 109.339 169.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -75.3 -30.98 60.54 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.812 0.695 . . . . 72.010000000000005 111.529 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.99 84.78 Favored 'General case' 0 CA--C 1.519 -0.212 0 O-C-N 123.695 0.622 . . . . 52.310000000000002 111.469 177.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 9.4 t70 -79.16 -31.91 44.1 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.332 -0.849 . . . . 74.439999999999998 110.353 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 38' ' ' ASP . 6.1 tt -61.95 -46.81 87.66 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.392 1.077 . . . . 54.200000000000003 110.664 177.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.55 79.1 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.407 -0.815 . . . . 74.510000000000005 111.007 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.93 -34.0 77.12 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.481 0.488 . . . . 61.109999999999999 112.139 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 41' ' ' ASP . 13.6 mm-40 -75.65 -22.15 57.03 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.509 -0.314 . . . . 71.340000000000003 111.363 175.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.25 6.81 35.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 122.741 0.417 . . . . 74.420000000000002 111.845 174.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.0 t70 68.36 28.25 6.24 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 125.492 1.517 . . . . 72.099999999999994 111.326 177.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -115.47 137.12 22.92 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.51 -0.768 . . . . 72.200000000000003 109.837 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -68.41 133.28 27.72 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.132 1.888 . . . . 73.530000000000001 112.111 171.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -108.35 136.06 48.61 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.68 -0.489 . . . . 73.010000000000005 109.68 177.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -143.36 142.78 31.4 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.25 -0.648 . . . . 72.150000000000006 109.25 172.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.2 t -153.78 128.69 9.52 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.652 -0.87 . . . . 61.100000000000001 108.652 -174.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.77 16.39 14.18 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 116.157 -0.474 . . . . 64.109999999999999 111.543 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -83.12 168.58 16.72 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.25 -1.019 . . . . 74.040000000000006 108.25 169.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -69.89 147.61 50.06 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.012 0.434 . . . . 70.319999999999993 110.42 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.0 p -126.22 -26.75 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-O 121.239 0.542 . . . . 73.120000000000005 110.166 174.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.458 HD21 HD22 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -130.15 129.82 43.97 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.993 -0.548 . . . . 73.329999999999998 110.877 -176.923 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.73 97.78 5.29 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.271 -1.011 . . . . 74.400000000000006 108.271 168.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.48 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -101.93 121.99 53.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 113.981 -1.463 . . . . 73.340000000000003 108.963 -172.689 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -111.32 134.8 52.64 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 120.369 -0.532 . . . . 74.340000000000003 109.9 -177.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.9 t -133.0 159.27 40.5 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.917 -0.771 . . . . 61.399999999999999 108.917 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.1 mt -105.63 106.69 17.31 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.659 -0.867 . . . . 74.200000000000003 108.659 171.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.462 ' O ' HG22 ' A' ' 66' ' ' THR . 36.9 t70 -98.77 101.64 13.11 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.323 -0.621 . . . . 72.200000000000003 109.323 -177.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.72 -98.03 1.39 Allowed Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 108.927 -1.669 . . . . 71.400000000000006 108.927 -164.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -134.35 3.33 3.35 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 123.801 0.354 . . . . 73.400000000000006 111.506 172.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.462 HG22 ' O ' ' A' ' 63' ' ' ASP . 6.6 t -89.6 149.8 22.67 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.953 0.406 . . . . 74.109999999999999 110.523 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -93.04 106.08 18.09 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.083 -0.71 . . . . 74.030000000000001 109.083 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -108.65 115.45 30.12 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.662 -0.496 . . . . 73.510000000000005 109.662 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.476 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -108.85 143.98 37.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.424 -0.807 . . . . 52.310000000000002 109.585 176.775 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.48 ' HB2' HG23 ' A' ' 59' ' ' VAL . 14.8 m-90 -117.5 129.86 56.08 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.829 -0.804 . . . . 75.439999999999998 108.829 177.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 23.7 mtm180 -104.19 117.82 35.16 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.981 -0.748 . . . . 73.329999999999998 108.981 173.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -104.26 139.12 39.73 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 108.653 -0.869 . . . . 70.049999999999997 108.653 175.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 76.4 p -82.97 158.89 22.37 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 123.64 0.588 . . . . 72.510000000000005 109.883 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -68.06 -28.39 67.33 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.808 -0.633 . . . . 65.439999999999998 110.82 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -71.37 -31.31 67.18 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.506 0.722 . . . . 73.319999999999993 110.779 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.89 -24.15 44.35 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 123.545 0.528 . . . . 73.200000000000003 111.616 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.06 -26.89 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 122.975 0.51 . . . . 73.439999999999998 110.46 173.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.4 mmt -68.65 -41.07 79.86 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.064 -0.516 . . . . 70.430000000000007 112.196 173.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -89.85 -0.54 57.62 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.635 0.606 . . . . 71.230000000000004 112.635 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.54 120.28 7.48 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 123.739 0.816 . . . . 65.040000000000006 111.531 -176.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -76.41 126.55 86.18 Favored Pre-proline 0 C--O 1.239 0.532 0 CA-C-N 114.783 -1.099 . . . . 72.019999999999996 111.228 -168.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -72.25 114.53 4.01 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 121.88 1.72 . . . . 74.030000000000001 111.39 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -83.7 160.03 21.39 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.416 -0.811 . . . . 63.009999999999998 109.933 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.61 -4.85 45.14 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.498 -0.773 . . . . 62.020000000000003 111.916 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -74.56 -24.93 59.01 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.399 -0.364 . . . . 72.420000000000002 110.81 169.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.86 -15.31 21.42 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 114.808 0.683 . . . . 70.439999999999998 114.808 177.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -116.38 -34.04 4.74 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 117.554 0.677 . . . . 74.140000000000001 110.681 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.5 m -81.51 144.74 31.11 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.515 -0.766 . . . . 75.150000000000006 110.445 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.429 ' CD1' HD13 ' A' ' 10' ' ' LEU . 82.3 m95 -127.24 150.94 49.32 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.359 -0.978 . . . . 73.150000000000006 108.359 176.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -102.43 100.06 10.16 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.678 -0.49 . . . . 74.549999999999997 109.678 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.73 99.75 12.58 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.411 -0.813 . . . . 73.340000000000003 108.939 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 p -83.81 134.38 34.72 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.67 -0.695 . . . . 74.140000000000001 109.909 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.5 p -133.25 -179.02 5.25 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.298 -0.865 . . . . 73.319999999999993 110.947 -174.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.88 -17.38 80.17 Favored Glycine 0 CA--C 1.523 0.585 0 CA-C-N 115.908 -0.587 . . . . 54.530000000000001 111.776 171.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -81.52 -43.12 19.21 Favored 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 122.879 0.471 . . . . 62.140000000000001 110.981 173.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 167.21 -106.87 0.27 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.145 -0.55 . . . . 62.119999999999997 112.22 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.85 137.1 16.54 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.088 0.47 . . . . 70.140000000000001 110.374 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -126.35 134.9 50.96 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.518 -0.765 . . . . 71.219999999999999 109.587 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.543 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 15.1 tt0 -83.55 104.01 13.34 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.013 -0.736 . . . . 75.120000000000005 109.013 175.042 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.9 mt -92.31 106.51 18.5 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 108.648 -0.871 . . . . 50.420000000000002 108.648 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -109.16 119.68 40.26 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-O 121.446 0.641 . . . . 73.310000000000002 109.308 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 85.8 m -82.2 125.56 31.06 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 114.099 -1.409 . . . . 25.010000000000002 108.703 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 115.18 -0.918 . . . . 74.109999999999999 110.55 -175.239 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 . . . . . 0 N--CA 1.439 -0.98 0 N-CA-C 108.568 -0.901 . . . . 72.239999999999995 108.568 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.531 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 76.6 m-85 -99.25 167.94 10.35 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 106.248 -1.76 . . . . 71.200000000000003 106.248 165.347 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.56 HD13 ' CD1' ' A' ' 89' ' ' TRP . 48.2 tp -63.6 -24.84 67.96 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.477 0.486 . . . . 71.540000000000006 111.138 176.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.0 tp -66.88 -33.85 76.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.331 -0.85 . . . . 72.030000000000001 112.437 177.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -82.01 -24.25 35.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.312 0.577 . . . . 74.239999999999995 109.999 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 10.8 mm-40 -81.73 -33.05 31.29 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.442 -0.799 . . . . 61.32 112.181 -174.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.569 HD13 HD22 ' A' ' 32' ' ' LEU . 2.4 pp -71.89 -22.49 61.49 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.419 0.526 . . . . 64.310000000000002 112.419 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -76.39 -23.98 54.09 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.964 -0.562 . . . . 61.25 112.073 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.5 p -110.8 17.63 20.38 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.848 0.356 . . . . 44.5 111.029 176.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.82 121.2 33.22 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.373 0.606 . . . . 53.340000000000003 110.899 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -82.89 -52.51 6.65 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.563 -0.902 . . . . 74.349999999999994 108.563 171.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 30.5 ttp -113.17 143.19 44.8 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.319 -1.31 . . . . 74.329999999999998 108.301 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.3 144.94 50.95 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.353 -0.61 . . . . 63.399999999999999 109.353 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 86.0 mt-10 -113.03 153.17 28.53 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 116.329 -0.396 . . . . 73.099999999999994 110.102 174.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.513 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 13.9 tt -146.57 98.59 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-O 122.398 1.094 . . . . 73.239999999999995 110.496 170.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.1 t70 60.64 43.95 12.02 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 113.956 -1.474 . . . . 62.32 111.122 175.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.16 -23.45 34.59 Favored Glycine 0 C--N 1.334 0.464 0 CA-C-N 115.046 -0.979 . . . . 53.240000000000002 112.822 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 mp -87.96 126.78 35.25 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-O 120.98 0.419 . . . . 74.439999999999998 110.841 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -89.16 110.37 21.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.308 -0.405 . . . . 74.140000000000001 111.047 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.83 116.68 12.5 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.208 0.528 . . . . 75.129999999999995 109.886 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.4 p-90 -84.94 -24.71 28.26 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.301 -0.863 . . . . 75.450000000000003 110.564 -172.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -150.1 136.24 18.74 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 108.248 -1.019 . . . . 75.219999999999999 108.248 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -138.78 154.38 48.5 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.854 -0.612 . . . . 74.019999999999996 111.032 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -108.04 147.74 30.74 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.315 -0.857 . . . . 61.439999999999998 109.565 178.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.569 HD22 HD13 ' A' ' 14' ' ' LEU . 57.2 mt -123.5 138.02 54.66 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 114.908 -1.042 . . . . 62.539999999999999 108.528 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.513 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 37.5 t-20 -81.07 91.06 6.04 Favored 'General case' 0 C--O 1.224 -0.288 0 N-CA-C 108.405 -0.961 . . . . 55.009999999999998 108.405 176.436 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -74.13 -25.48 59.79 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 124.086 0.866 . . . . 74.409999999999997 111.27 -172.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.477 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 25.4 m-80 -67.17 -44.42 79.77 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 123.844 0.715 . . . . 74.299999999999997 111.173 173.074 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.3 tp -74.16 -25.01 59.49 Favored 'General case' 0 C--O 1.221 -0.422 0 O-C-N 123.82 0.7 . . . . 64.510000000000005 111.118 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 69.2 mt -83.24 -21.75 33.29 Favored 'General case' 0 C--O 1.223 -0.32 0 O-C-N 123.413 0.446 . . . . 62.409999999999997 111.564 176.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -70.71 -38.54 73.64 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 109.317 -0.623 . . . . 74.150000000000006 109.317 171.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 35' ' ' ASN . 63.6 mt-30 -74.98 -29.41 60.89 Favored 'General case' 0 C--O 1.225 -0.203 0 O-C-N 124.296 0.998 . . . . 73.510000000000005 111.042 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.6 77.79 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 122.714 0.406 . . . . 75.420000000000002 111.206 177.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 25.9 t70 -77.81 -29.72 50.86 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.431 -0.804 . . . . 74.420000000000002 110.844 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.82 -46.04 92.08 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.538 1.135 . . . . 43.100000000000001 110.156 173.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.78 -36.27 75.6 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 115.114 -0.948 . . . . 71.120000000000005 110.795 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.89 -23.38 62.27 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.186 0.439 . . . . 64.329999999999998 112.186 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 41' ' ' ASP . 49.2 mt-10 -74.44 -27.82 60.77 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 122.87 0.468 . . . . 55.210000000000001 111.123 171.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.24 3.73 54.1 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.05 0.54 . . . . 43.439999999999998 112.08 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 67.9 27.01 7.39 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 123.029 1.395 . . . . 65.319999999999993 111.035 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -109.67 123.59 36.01 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 115.454 -0.794 . . . . 74.019999999999996 109.49 -176.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.21 124.69 15.3 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.466 2.111 . . . . 64.239999999999995 111.945 172.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.408 ' HD2' ' CZ ' ' A' ' 74' ' ' TYR . 45.7 t80 -93.29 130.48 39.0 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.645 -0.707 . . . . 74.349999999999994 110.013 -176.178 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -132.43 130.31 40.42 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.659 -0.701 . . . . 73.010000000000005 110.379 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -146.48 148.16 31.95 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.276 -1.009 . . . . 45.140000000000001 108.276 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -107.9 12.5 27.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.594 0.235 . . . . 64.109999999999999 111.052 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.52 168.65 18.02 Favored 'General case' 0 N--CA 1.462 0.126 0 N-CA-C 109.151 -0.685 . . . . 44.039999999999999 109.151 174.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 8.9 p-90 -68.95 152.55 45.13 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 120.921 0.391 . . . . 73.409999999999997 110.672 -176.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 p -135.15 -24.8 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 CA-C-O 120.975 0.416 . . . . 73.329999999999998 111.36 176.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.8 tp -142.06 124.0 15.31 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.904 0.383 . . . . 53.43 110.929 -172.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.56 99.85 6.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.387 -0.824 . . . . 63.329999999999998 109.797 174.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -99.96 113.8 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.9 0.381 . . . . 72.25 110.934 -174.092 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -101.0 118.93 37.97 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.726 0.774 . . . . 74.329999999999998 109.827 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t -119.54 145.51 46.3 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 114.305 -1.316 . . . . 71.129999999999995 109.205 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.6 mt -103.79 116.01 31.51 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.89 -0.324 . . . . 34.020000000000003 110.748 -176.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.496 ' O ' ' HB ' ' A' ' 66' ' ' THR . 29.5 t70 -115.21 97.25 6.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.41 0.624 . . . . 53.210000000000001 109.444 175.049 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.22 -116.92 4.49 Favored Glycine 0 N--CA 1.441 -1.001 0 N-CA-C 110.398 -1.081 . . . . 53.140000000000001 110.398 -172.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -115.41 16.22 16.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.724 0.773 . . . . 74.530000000000001 109.103 169.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.496 ' HB ' ' O ' ' A' ' 63' ' ' ASP . 3.2 m -87.42 128.05 35.21 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.434 -1.257 . . . . 73.329999999999998 111.0 -178.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -94.16 100.3 12.41 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.887 -1.051 . . . . 73.409999999999997 108.533 172.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -108.84 116.13 31.41 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.95 -0.568 . . . . 72.120000000000005 109.481 -175.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 38.2 tt0 -119.08 133.2 55.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.048 0.451 . . . . 72.439999999999998 110.714 -177.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 23.3 m-90 -108.88 124.88 51.34 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.754 -0.657 . . . . 54.240000000000002 109.275 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -107.96 119.17 38.7 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.513 0.673 . . . . 74.430000000000007 109.699 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -108.79 148.85 29.92 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.168 -0.924 . . . . 74.409999999999997 111.105 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.4 m -75.05 156.93 35.61 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 114.928 -1.033 . . . . 73.340000000000003 109.73 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.408 ' CZ ' ' HD2' ' A' ' 50' ' ' PHE . 63.7 t80 -60.93 -37.5 82.53 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.851 0.86 . . . . 73.230000000000004 110.085 175.084 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -25.69 64.98 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 124.276 0.985 . . . . 52.240000000000002 112.102 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.07 -34.68 43.47 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 121.121 0.486 . . . . 73.200000000000003 110.975 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.9 t -76.55 -24.6 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-N 115.624 -0.717 . . . . 62.350000000000001 111.204 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mmt -75.24 -38.83 60.41 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.189 -0.46 . . . . 74.219999999999999 111.815 175.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -81.71 -3.67 54.29 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.528 0.566 . . . . 74.129999999999995 112.528 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.93 117.37 6.31 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.366 0.603 . . . . 41.329999999999998 111.934 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -84.92 131.85 47.72 Favored Pre-proline 0 N--CA 1.439 -1.008 0 CA-C-N 114.424 -1.262 . . . . 74.420000000000002 110.776 -173.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -64.87 131.92 30.71 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 121.804 1.669 . . . . 63.030000000000001 111.709 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -88.88 173.15 8.67 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.772 -0.649 . . . . 62.130000000000003 111.641 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.51 -7.92 56.99 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.434 -0.803 . . . . 61.020000000000003 111.531 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -74.86 -23.02 58.36 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 114.923 -1.035 . . . . 73.200000000000003 110.703 171.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.44 -13.69 39.22 Favored Glycine 0 C--N 1.342 0.908 0 N-CA-C 114.747 0.659 . . . . 64.439999999999998 114.747 175.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -123.06 -30.04 3.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.02 0.41 . . . . 65.230000000000004 110.853 -177.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.6 m -86.44 151.89 23.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 73.209999999999994 111.436 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.56 ' CD1' HD13 ' A' ' 10' ' ' LEU . 72.0 m95 -126.81 146.95 50.06 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.873 -0.603 . . . . 61.32 110.487 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -95.54 99.78 11.62 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.858 -0.61 . . . . 72.299999999999997 110.62 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.42 106.04 18.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.976 -1.011 . . . . 74.409999999999997 108.996 177.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.1 p -110.33 110.27 21.01 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.501 0.667 . . . . 62.119999999999997 112.058 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 81.5 p -102.27 -173.27 2.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.022 -0.99 . . . . 70.040000000000006 109.953 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.77 -10.65 83.41 Favored Glycine 0 C--N 1.338 0.653 0 C-N-CA 121.284 -0.484 . . . . 73.0 112.436 172.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -85.66 -45.58 11.56 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.357 0.663 . . . . 71.129999999999995 109.964 177.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.77 -113.88 0.54 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.624 -0.798 . . . . 74.239999999999995 113.22 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -147.1 139.64 24.83 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.935 0.494 . . . . 63.240000000000002 110.677 -171.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -137.63 140.1 40.7 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 108.886 -0.783 . . . . 75.129999999999995 108.886 -178.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.513 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 43.7 tt0 -101.66 98.66 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.981 0.42 . . . . 63.329999999999998 109.934 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.465 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 33.2 mt -94.47 111.59 23.34 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.896 -0.409 . . . . 74.109999999999999 109.896 -179.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -119.59 115.64 24.4 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.704 -0.48 . . . . 64.200000000000003 109.704 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 77.0 m -83.71 122.83 29.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.233 -0.894 . . . . 71.430000000000007 110.974 -177.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 74.1 mt . . . . . 0 C--N 1.315 -0.923 0 CA-C-N 114.968 -1.015 . . . . 71.319999999999993 111.358 -173.609 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 . . . . . 0 N--CA 1.445 -0.709 0 N-CA-C 109.78 -0.452 . . . . 74.019999999999996 109.78 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.534 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 92.7 m-85 -68.63 163.13 24.45 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 124.154 0.909 . . . . 72.109999999999999 109.138 171.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' A' ' 89' ' ' TRP . 62.0 tp -58.55 -25.8 62.87 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 123.788 0.68 . . . . 71.25 112.342 178.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.483 HD11 HD22 ' A' ' 37' ' ' LEU . 65.1 tp -59.15 -39.15 81.53 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.697 0.799 . . . . 71.120000000000005 112.669 173.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -82.52 -31.69 29.07 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.756 0.312 . . . . 72.200000000000003 110.695 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 36.6 mm-40 -69.09 -30.85 69.24 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.333 -0.849 . . . . 73.5 111.941 -176.253 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.427 HD13 HD22 ' A' ' 32' ' ' LEU . 3.1 pp -74.89 -22.82 58.41 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.728 0.27 . . . . 63.200000000000003 111.728 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -74.09 -33.58 63.68 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.058 -0.519 . . . . 74.409999999999997 111.739 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.9 p -97.82 -3.74 38.21 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.043 -0.526 . . . . 63.149999999999999 111.942 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.25 127.73 33.83 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 122.565 0.346 . . . . 71.540000000000006 111.69 -176.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.18 -57.67 3.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.629 -0.878 . . . . 71.25 108.629 169.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.427 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 63.0 mtm -110.58 154.09 24.23 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.064 -0.971 . . . . 71.25 109.086 176.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.2 tp -132.01 119.13 20.64 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.068 -0.716 . . . . 73.299999999999997 109.068 175.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 11.7 tt0 -105.04 152.31 22.9 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 114.792 -1.095 . . . . 74.239999999999995 110.371 -174.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.592 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 12.8 tt -132.69 107.47 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-O 122.168 0.985 . . . . 71.310000000000002 111.027 174.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.1 t70 54.69 56.79 6.34 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 125.021 1.329 . . . . 61.340000000000003 112.069 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.02 14.91 76.24 Favored Glycine 0 CA--C 1.527 0.784 0 CA-C-N 115.553 -0.749 . . . . 73.549999999999997 113.854 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 tt -132.44 105.71 7.43 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 107.437 -1.319 . . . . 75.340000000000003 107.437 -176.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 28.7 p-80 -82.12 133.53 35.28 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 111.837 0.31 . . . . 71.140000000000001 111.837 -170.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.55 145.48 26.2 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.667 -0.242 . . . . 72.209999999999994 110.373 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 44.3 p-90 -90.9 -25.03 20.02 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.03 0.443 . . . . 62.43 110.116 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -135.57 135.73 40.54 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.861 -0.609 . . . . 73.319999999999993 109.45 -177.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -144.02 146.37 32.84 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.085 -0.961 . . . . 74.310000000000002 109.229 172.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -126.84 147.25 50.05 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.468 -0.787 . . . . 53.439999999999998 109.293 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD22 HD13 ' A' ' 14' ' ' LEU . 35.8 mt -117.72 144.39 45.33 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.257 -0.883 . . . . 61.450000000000003 109.023 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.628 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 48.6 t-20 -79.52 86.96 5.14 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.377 -0.972 . . . . 45.240000000000002 108.377 175.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -28.8 62.05 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.796 -1.093 . . . . 70.430000000000007 112.489 -172.138 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -59.56 -43.59 93.52 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.768 0.827 . . . . 73.109999999999999 111.491 173.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 tp -79.26 -23.44 43.65 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 114.875 -1.057 . . . . 63.109999999999999 111.035 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 20.1 mt -78.92 -28.55 43.89 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 111.995 0.369 . . . . 75.010000000000005 111.995 -179.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -63.73 -41.01 98.12 Favored 'General case' 0 C--O 1.219 -0.551 0 O-C-N 123.531 0.519 . . . . 72.409999999999997 109.726 172.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -71.87 -31.22 66.24 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.651 1.219 . . . . 62.130000000000003 112.416 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.22 -43.01 83.09 Favored 'General case' 0 CA--C 1.513 -0.471 0 O-C-N 123.662 0.601 . . . . 63.049999999999997 111.233 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -78.89 -31.98 45.66 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 124.063 0.852 . . . . 75.230000000000004 111.181 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 tt -56.57 -44.24 80.8 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.57 1.148 . . . . 54.340000000000003 111.047 173.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.65 -39.58 51.8 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 115.575 -0.739 . . . . 73.129999999999995 111.307 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.33 -30.16 69.06 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.663 0.616 . . . . 74.25 112.663 -177.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.44 -23.29 53.93 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 122.432 0.293 . . . . 64.409999999999997 111.503 174.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.31 8.34 27.92 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.387 -0.37 . . . . 74.299999999999997 111.646 174.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.4 t70 67.96 23.23 8.31 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 125.116 1.366 . . . . 62.439999999999998 111.409 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -106.29 129.95 23.72 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.238 -0.892 . . . . 75.019999999999996 110.019 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -64.7 131.42 29.33 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.779 2.319 . . . . 62.25 112.545 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -112.89 120.29 40.92 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.692 -0.484 . . . . 74.200000000000003 109.692 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.59 132.35 37.03 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.727 -0.472 . . . . 72.129999999999995 109.727 172.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -140.94 141.36 34.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.404 -0.816 . . . . 74.099999999999994 109.418 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -95.13 12.58 28.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.937 0.347 . . . . 63.43 111.937 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -81.65 164.99 21.43 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.439 -0.949 . . . . 74.340000000000003 108.439 172.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 10.7 p-90 -66.21 154.3 40.18 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 120.711 0.291 . . . . 73.219999999999999 110.335 -178.272 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.9 p -135.06 -22.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.215 0.531 . . . . 75.319999999999993 110.519 170.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.65 130.1 43.5 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 116.186 -0.461 . . . . 74.329999999999998 109.925 -174.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.36 108.72 8.87 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.013 -0.736 . . . . 43.310000000000002 109.013 166.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.434 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -104.8 118.45 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.47 -0.332 . . . . 64.209999999999994 110.394 178.057 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -107.9 125.8 51.91 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.159 -0.682 . . . . 74.430000000000007 109.159 173.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -125.85 152.25 45.76 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 115.187 -0.915 . . . . 52.350000000000001 110.407 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -101.48 105.21 16.18 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.818 0.818 . . . . 61.420000000000002 111.622 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.41 ' O ' ' HB ' ' A' ' 66' ' ' THR . 31.4 t70 -100.99 93.19 5.37 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.796 -1.093 . . . . 72.150000000000006 108.368 173.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.04 -102.25 1.9 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.819 -0.912 . . . . 43.229999999999997 110.819 -171.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -114.5 -13.43 12.2 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.316 0.647 . . . . 74.409999999999997 109.751 172.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 63' ' ' ASP . 92.7 m -66.72 114.69 5.81 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.237 1.415 . . . . 61.240000000000002 112.15 -175.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -89.86 99.17 12.23 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.515 -0.92 . . . . 72.310000000000002 108.515 171.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -107.4 124.72 50.26 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.968 -0.382 . . . . 71.230000000000004 109.968 -174.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 21.7 tt0 -112.91 128.34 56.44 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.326 0.584 . . . . 64.140000000000001 110.9 -175.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.434 ' HB2' HG23 ' A' ' 59' ' ' VAL . 20.5 m-90 -110.53 126.31 54.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.206 -0.906 . . . . 71.409999999999997 109.295 173.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -108.37 133.83 52.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.119 0.485 . . . . 65.549999999999997 110.276 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -122.99 136.89 55.03 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 115.261 -0.881 . . . . 74.329999999999998 109.452 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 38.4 m -77.93 161.26 27.69 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.096 0.873 . . . . 72.109999999999999 110.094 175.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -61.62 -36.43 80.73 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 124.023 0.827 . . . . 71.439999999999998 110.583 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -67.76 -34.81 77.53 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.157 -0.928 . . . . 73.340000000000003 111.712 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.23 -36.42 71.84 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.679 0.612 . . . . 55.409999999999997 111.657 177.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.9 t -69.56 -27.41 33.8 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 123.91 0.884 . . . . 52.539999999999999 111.979 175.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.1 mmt -69.65 -41.45 75.55 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.898 -0.137 . . . . 53.32 111.143 174.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -92.1 9.36 33.77 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 113.162 0.801 . . . . 73.230000000000004 113.162 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.33 124.96 24.14 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.069 0.461 . . . . 63.210000000000001 110.459 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.402 ' HB3' ' HB3' ' A' ' 90' ' ' ARG . 16.7 tt0 -79.51 128.73 74.08 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 114.327 -1.306 . . . . 75.519999999999996 111.12 -167.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -75.8 112.39 3.5 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.865 1.71 . . . . 61.43 111.548 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -78.72 166.13 22.82 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.949 -0.76 . . . . 72.230000000000004 108.949 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.53 -12.96 61.9 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.036 0.754 . . . . 74.239999999999995 113.036 -174.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.41 -24.73 59.14 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.514 0.726 . . . . 62.509999999999998 110.873 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.73 -16.37 15.24 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 114.782 0.673 . . . . 71.209999999999994 114.782 175.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 24.8 mt-10 -112.46 -23.17 10.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.357 -0.608 . . . . 62.130000000000003 109.357 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.6 m -85.87 133.57 33.95 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.04 -0.982 . . . . 72.510000000000005 110.301 175.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.531 ' O ' ' HA ' ' A' ' 99' ' ' GLN . 94.2 m95 -120.5 156.02 32.39 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.866 -0.607 . . . . 74.239999999999995 110.038 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.402 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 66.2 ttt180 -111.31 107.86 17.28 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.657 -0.497 . . . . 64.409999999999997 109.657 178.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -96.73 97.25 9.18 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.656 -0.868 . . . . 74.340000000000003 108.656 174.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.0 m -97.54 103.73 15.69 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.188 -0.671 . . . . 75.140000000000001 109.188 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.1 p -105.5 -174.06 2.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.489 -1.232 . . . . 65.310000000000002 110.238 -173.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.87 -19.75 79.75 Favored Glycine 0 C--N 1.342 0.875 0 O-C-N 123.401 0.438 . . . . 65.299999999999997 112.691 173.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -83.71 -47.44 11.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 122.389 0.276 . . . . 72.209999999999994 110.576 175.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.16 -170.45 42.53 Favored Glycine 0 C--N 1.34 0.801 0 N-CA-C 112.179 -0.368 . . . . 74.319999999999993 112.179 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.97 121.6 42.46 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.219 0.533 . . . . 71.430000000000007 110.756 -175.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.46 ' HB3' HD11 ' A' ' 22' ' ' ILE . 91.9 m-85 -117.52 130.66 56.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.191 -0.913 . . . . 62.450000000000003 110.027 -175.109 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.592 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 26.5 tt0 -92.12 103.89 16.33 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 120.952 -0.299 . . . . 71.230000000000004 111.473 -175.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.1 mt -90.14 111.38 22.5 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.8 -0.76 . . . . 70.219999999999999 109.252 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 13.8 ttp180 -117.93 121.8 41.63 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.281 -0.872 . . . . 64.25 109.176 -176.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 64.0 m -86.98 118.93 26.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.123 0.487 . . . . 45.200000000000003 110.825 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.427 ' HB2' ' HB2' ' A' ' 19' ' ' MET . 1.0 OUTLIER . . . . . 0 CA--C 1.511 -0.552 0 N-CA-C 108.548 -0.908 . . . . 64.239999999999995 108.548 -175.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.444 ' HG2' ' OD2' ' A' ' 12' ' ' ASP . 32.3 mtt-85 . . . . . 0 CA--C 1.507 -0.704 0 CA-C-O 121.355 0.598 . . . . 55.210000000000001 110.42 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -72.26 170.76 13.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.88 -1.054 . . . . 64.129999999999995 108.482 172.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 59.8 tp -64.29 -23.61 67.36 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 117.993 0.36 . . . . 54.329999999999998 111.761 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.474 HD22 HD21 ' A' ' 37' ' ' LEU . 80.9 mt -68.68 -41.45 79.22 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 112.116 0.413 . . . . 74.540000000000006 112.116 172.296 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.444 ' OD2' ' HG2' ' A' ' 8' ' ' ARG . 22.9 t70 -69.88 -29.39 66.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.308 -0.405 . . . . 61.439999999999998 110.493 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.515 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 31.9 mm-40 -65.65 -54.01 33.5 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 123.835 0.854 . . . . 42.509999999999998 112.122 176.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 2.6 pp -69.72 -21.58 63.46 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.103 0.408 . . . . 64.299999999999997 112.103 -178.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -75.12 -31.14 61.04 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 112.955 0.724 . . . . 72.200000000000003 112.955 171.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.2 p -100.56 15.0 29.49 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 121.624 -0.672 . . . . 73.239999999999995 111.234 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.02 147.23 52.44 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.04 0.448 . . . . 71.319999999999993 111.998 -176.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -107.39 -35.25 6.83 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.026 -0.988 . . . . 65.140000000000001 109.959 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.442 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 40.8 mtm -97.23 149.99 21.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.449 -0.796 . . . . 61.119999999999997 109.692 176.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.3 tp -152.35 121.45 6.66 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.361 -0.607 . . . . 74.0 109.361 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 36.1 mt-10 -108.46 152.85 24.15 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.278 -0.638 . . . . 54.219999999999999 109.278 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 9.4 tt -141.8 107.29 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-O 121.635 0.731 . . . . 72.140000000000001 111.249 -176.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 t70 60.85 28.58 18.33 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-O 122.389 1.09 . . . . 61.130000000000003 111.229 177.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.1 -9.96 61.63 Favored Glycine 0 CA--C 1.526 0.756 0 O-C-N 121.518 -0.739 . . . . 61.329999999999998 113.654 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 mt -102.45 118.83 37.7 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 109.718 -0.475 . . . . 74.049999999999997 109.718 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -81.67 124.96 30.03 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.041 -0.664 . . . . 75.439999999999998 110.693 -176.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.5 120.36 16.02 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.304 -0.628 . . . . 74.420000000000002 109.304 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.0 p-90 -82.01 -24.08 35.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.744 -0.662 . . . . 74.099999999999994 109.421 -176.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -150.68 135.0 17.04 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 114.804 -1.089 . . . . 65.430000000000007 108.53 173.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -129.48 158.12 40.11 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.276 -0.874 . . . . 64.150000000000006 109.26 171.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -128.72 146.03 51.0 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.307 -0.627 . . . . 75.340000000000003 109.307 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.9 mt -119.48 145.76 46.02 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.704 -0.68 . . . . 74.439999999999998 110.463 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -83.54 93.05 7.75 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.638 -0.875 . . . . 71.430000000000007 108.638 175.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -75.45 -20.97 58.51 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.598 0.592 . . . . 62.229999999999997 112.598 -173.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -67.35 -51.22 54.95 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 123.659 0.599 . . . . 61.109999999999999 110.171 172.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.9 tp -75.66 -23.79 56.29 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.698 -0.683 . . . . 74.319999999999993 111.354 -175.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.474 HD21 HD22 ' A' ' 11' ' ' LEU . 43.1 mt -83.16 -19.61 36.28 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 112.091 0.404 . . . . 74.299999999999997 112.091 175.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.4 -46.84 59.22 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.023 -0.732 . . . . 72.219999999999999 109.023 171.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -72.74 -25.66 61.28 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.935 0.772 . . . . 62.119999999999997 111.562 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.78 -43.01 80.76 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 123.219 0.608 . . . . 41.509999999999998 111.053 175.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.4 -40.61 70.39 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.151 -0.931 . . . . 71.319999999999993 110.71 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.6 tt -55.59 -49.68 72.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.935 1.294 . . . . 65.239999999999995 111.058 177.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.05 -39.15 75.87 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.801 -0.636 . . . . 71.450000000000003 111.399 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.3 -38.75 92.37 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.321 0.388 . . . . 52.399999999999999 111.793 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -65.31 -32.39 74.02 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.546 0.738 . . . . 73.439999999999998 111.131 174.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.92 12.3 9.57 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.953 -0.567 . . . . 74.140000000000001 112.31 177.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t70 71.49 12.55 6.53 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 125.87 1.668 . . . . 72.450000000000003 112.128 174.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -103.45 124.94 36.39 Favored Pre-proline 0 C--N 1.316 -0.88 0 O-C-N 121.658 -0.651 . . . . 74.120000000000005 109.841 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -62.7 125.34 15.86 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 121.831 1.687 . . . . 71.439999999999998 110.89 169.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -87.44 131.03 34.46 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 108.758 -0.83 . . . . 72.120000000000005 108.758 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.33 118.86 20.91 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.481 -0.781 . . . . 74.420000000000002 110.091 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.0 m -142.2 143.48 32.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.442 -0.799 . . . . 63.310000000000002 109.365 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -102.86 15.44 29.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.743 -0.208 . . . . 75.049999999999997 111.356 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.33 170.08 17.03 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 108.773 -0.825 . . . . 74.540000000000006 108.773 172.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -72.69 154.15 40.85 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 109.429 -0.582 . . . . 74.5 109.429 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.7 p -135.55 -26.08 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 C-N-CA 120.347 -0.541 . . . . 71.150000000000006 111.651 174.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.7 tp -141.48 121.71 13.89 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.98 0.419 . . . . 70.409999999999997 110.968 -172.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.26 102.18 9.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.635 -0.711 . . . . 54.039999999999999 109.5 175.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.3 m -101.29 121.72 52.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.119 0.485 . . . . 62.020000000000003 110.176 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -112.6 124.32 52.28 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.242 -0.436 . . . . 64.219999999999999 109.874 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.0 t -122.18 142.11 50.75 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.385 -0.968 . . . . 64.329999999999998 108.385 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.8 mt -79.02 130.5 35.59 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.817 -0.753 . . . . 72.230000000000004 109.207 173.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -123.16 100.26 6.77 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.453 -0.943 . . . . 73.450000000000003 108.453 -175.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.36 -87.66 1.44 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.896 -0.882 . . . . 63.130000000000003 110.896 -171.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.5 ptt-85 -142.46 -0.62 1.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.206 0.602 . . . . 73.319999999999993 111.204 175.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 t -104.26 173.19 6.41 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 110.182 -0.303 . . . . 65.349999999999994 110.182 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.41 124.36 49.48 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.807 0.813 . . . . 75.540000000000006 110.28 176.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -114.04 116.34 29.02 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.548 -1.205 . . . . 70.400000000000006 108.254 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.448 ' OE2' ' HD2' ' A' ' 71' ' ' ARG . 34.6 tt0 -120.06 124.01 44.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.867 0.365 . . . . 61.100000000000001 111.452 -171.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 14.6 m-90 -108.82 129.06 55.39 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 115.53 -0.759 . . . . 73.150000000000006 109.135 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.448 ' HD2' ' OE2' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -112.22 122.73 48.55 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.964 -0.754 . . . . 75.099999999999994 108.964 177.178 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -103.48 130.64 50.89 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 114.799 -1.091 . . . . 70.340000000000003 109.412 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.0 m -68.15 152.63 45.19 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 114.671 -1.15 . . . . 71.340000000000003 109.014 172.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -56.92 -39.35 74.3 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.512 0.725 . . . . 72.510000000000005 110.684 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -65.36 -37.77 88.06 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.937 0.895 . . . . 71.319999999999993 111.952 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.94 -36.45 72.61 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.048 0.539 . . . . 63.509999999999998 111.443 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.412 HG13 HD23 ' A' ' 10' ' ' LEU . 25.5 t -67.28 -30.3 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 123.814 0.846 . . . . 65.349999999999994 112.103 175.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mmt -70.86 -42.13 70.5 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.419 0.288 . . . . 54.0 111.475 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -88.56 6.18 39.24 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.638 0.607 . . . . 74.109999999999999 112.638 -176.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.36 131.96 49.97 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.29 0.567 . . . . 74.299999999999997 111.453 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.468 ' HB3' ' HB3' ' A' ' 90' ' ' ARG . 16.0 tt0 -78.62 124.96 85.14 Favored Pre-proline 0 N--CA 1.441 -0.919 0 CA-C-N 114.115 -1.402 . . . . 72.239999999999995 110.703 -171.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -70.84 131.79 20.38 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 121.609 1.539 . . . . 65.299999999999997 110.846 173.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -98.8 170.46 8.75 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.211 -0.449 . . . . 70.310000000000002 110.114 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.44 -9.76 58.89 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.169 0.509 . . . . 62.539999999999999 111.742 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.65 -24.38 45.26 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.589 -0.732 . . . . 63.409999999999997 110.646 175.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.36 -18.4 4.44 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 115.502 0.961 . . . . 65.409999999999997 115.502 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 41.0 mt-10 -110.65 -27.74 8.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 118.134 0.967 . . . . 73.25 109.626 177.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.9 m -85.46 143.46 28.55 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.2 -0.909 . . . . 73.310000000000002 110.577 177.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.521 ' O ' ' HA ' ' A' ' 99' ' ' GLN . 82.3 m95 -131.76 150.14 52.25 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 115.605 -0.725 . . . . 73.230000000000004 110.197 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.468 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 53.6 ttt180 -108.26 99.39 8.81 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.104 0.478 . . . . 73.540000000000006 109.927 -176.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.404 HD21 ' CD2' ' A' ' 10' ' ' LEU . 3.7 mm? -91.65 100.6 13.3 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-N 115.264 -0.88 . . . . 53.32 109.986 178.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.8 m -101.62 110.07 21.99 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.953 0.882 . . . . 61.450000000000003 109.499 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 82.8 p -109.83 -172.05 1.96 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 113.541 -1.663 . . . . 74.019999999999996 110.295 -172.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.4 -5.35 89.85 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-N 116.359 -0.382 . . . . 64.519999999999996 112.472 171.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -92.01 -46.46 7.79 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.079 0.552 . . . . 75.510000000000005 109.991 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.15 -128.17 1.43 Allowed Glycine 0 C--O 1.22 -0.753 0 C-N-CA 121.244 -0.503 . . . . 75.409999999999997 112.931 -179.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -140.8 119.83 12.77 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 123.323 0.649 . . . . 72.310000000000002 109.41 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.454 ' HB3' ' CG1' ' A' ' 22' ' ' ILE . 69.0 m-85 -122.48 122.94 40.12 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 122.912 0.485 . . . . 71.129999999999995 110.176 -173.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' A' ' 89' ' ' TRP . 17.0 tt0 -94.45 108.2 20.14 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.384 -0.526 . . . . 61.43 111.532 -174.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.474 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 49.4 mt -92.44 109.76 21.16 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.383 -0.372 . . . . 75.219999999999999 111.068 -178.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 33.1 ttp180 -112.44 115.41 28.64 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.603 0.716 . . . . 74.120000000000005 109.981 178.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 14.7 m -90.58 125.25 35.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.239 -1.346 . . . . 52.240000000000002 111.161 -174.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 19' ' ' MET . 2.9 mt . . . . . 0 C--O 1.217 -0.616 0 N-CA-C 109.118 -0.697 . . . . 64.439999999999998 109.118 176.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 . . . . . 0 CA--C 1.502 -0.899 0 N-CA-C 108.949 -0.76 . . . . 63.310000000000002 108.949 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -99.85 166.19 11.2 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 113.853 -1.521 . . . . 74.109999999999999 108.678 175.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.8 tp -68.4 -32.36 72.35 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.222 -0.659 . . . . 74.209999999999994 109.222 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.464 HD11 HD22 ' A' ' 37' ' ' LEU . 63.5 tp -61.12 -35.71 77.77 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 124.548 1.155 . . . . 72.530000000000001 111.952 174.115 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -70.82 -41.1 71.99 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.118 0.567 . . . . 61.340000000000003 111.156 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -80.41 -31.52 37.62 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 113.822 1.045 . . . . 75.140000000000001 113.822 -170.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -69.59 -21.81 63.57 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.329 0.492 . . . . 75.230000000000004 112.329 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.97 -36.77 75.48 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.795 -0.639 . . . . 73.099999999999994 111.757 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.2 p -107.2 -11.03 15.69 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.53 0.937 . . . . 74.129999999999995 113.53 -172.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.03 163.25 27.33 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.309 0.576 . . . . 72.510000000000005 112.127 -176.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -119.24 -42.83 2.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.311 -0.859 . . . . 54.539999999999999 109.71 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.0 ttp -112.89 130.54 56.07 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.527 -0.76 . . . . 72.049999999999997 109.351 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.9 tp -131.47 117.3 18.63 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.141 -0.688 . . . . 75.349999999999994 109.141 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 25.8 mt-10 -98.06 154.83 17.45 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.566 -0.743 . . . . 60.310000000000002 110.535 -175.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.624 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 14.9 tt -134.11 107.74 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 CA-C-O 122.253 1.025 . . . . 72.230000000000004 110.569 176.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.432 ' HA ' ' HB3' ' A' ' 99' ' ' GLN . 21.7 t70 61.82 28.82 17.69 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 125.252 1.421 . . . . 72.310000000000002 111.064 -177.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.68 -10.02 66.48 Favored Glycine 0 C--N 1.335 0.525 0 CA-C-N 115.77 -0.65 . . . . 60.140000000000001 113.058 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -95.39 108.31 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.984 -1.117 . . . . 75.129999999999995 107.984 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 30.6 p-80 -75.15 144.0 42.99 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.042 0.214 . . . . 71.439999999999998 110.956 -175.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.19 140.14 34.86 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.012 -0.366 . . . . 63.109999999999999 110.012 175.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -80.44 -26.8 38.16 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.638 0.586 . . . . 74.349999999999994 110.153 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -141.14 134.78 30.12 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 114.718 -1.128 . . . . 75.040000000000006 108.558 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 22.1 p90 -129.75 138.19 50.96 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 108.237 -1.023 . . . . 75.420000000000002 108.237 170.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 8.6 mt-10 -116.84 145.36 43.61 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 114.993 -1.003 . . . . 53.030000000000001 110.201 -173.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.5 mt -115.93 148.7 39.77 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.211 -0.904 . . . . 73.409999999999997 109.24 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.455 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 45.8 t-20 -84.4 103.89 13.95 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.861 -1.163 . . . . 73.299999999999997 107.861 174.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -68.56 -43.46 76.54 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.619 1.199 . . . . 72.200000000000003 111.924 -167.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -71.78 -37.67 70.43 Favored 'General case' 0 C--O 1.225 -0.214 0 O-C-N 123.994 0.809 . . . . 72.319999999999993 111.75 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.5 tp -75.56 -25.38 57.05 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.584 0.552 . . . . 74.120000000000005 111.122 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.464 HD22 HD11 ' A' ' 11' ' ' LEU . 36.9 mt -83.07 -20.65 34.53 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 112.338 0.496 . . . . 73.439999999999998 112.338 178.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.37 -41.48 84.97 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.925 0.766 . . . . 65.340000000000003 109.357 170.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -74.14 -30.26 62.2 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 115.175 -0.92 . . . . 64.140000000000001 110.847 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.84 89.98 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 123.293 0.637 . . . . 63.43 111.865 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -79.05 -30.32 44.01 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 115.629 -0.714 . . . . 44.210000000000001 110.661 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.55 -48.68 80.72 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.339 1.056 . . . . 74.439999999999998 110.664 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.7 -37.31 70.68 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.958 0.786 . . . . 52.240000000000002 111.322 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.86 -35.94 82.73 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 123.461 0.476 . . . . 45.219999999999999 112.099 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -76.95 -13.3 59.99 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.111 0.564 . . . . 73.010000000000005 112.072 176.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.54 15.78 25.43 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.538 0.335 . . . . 70.530000000000001 110.904 173.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.0 t70 77.86 -4.59 2.22 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 126.001 1.72 . . . . 72.099999999999994 112.555 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -87.71 140.02 31.41 Favored Pre-proline 0 C--N 1.322 -0.608 0 O-C-N 121.376 -0.828 . . . . 63.219999999999999 111.121 -175.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -71.85 126.13 11.66 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 121.692 1.594 . . . . 74.319999999999993 110.105 164.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.421 ' HD2' ' CE2' ' A' ' 74' ' ' TYR . 50.3 t80 -80.72 136.11 36.11 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.514 -0.55 . . . . 73.239999999999995 109.514 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -125.43 124.85 42.34 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.79 -0.641 . . . . 75.319999999999993 110.098 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.9 t -147.62 140.65 25.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.17 0.509 . . . . 53.210000000000001 110.256 173.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -104.83 8.06 34.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.591 -0.731 . . . . 73.209999999999994 110.933 178.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.47 166.79 16.04 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.325 -0.991 . . . . 74.030000000000001 108.325 174.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 6.3 p-90 -67.53 153.15 44.36 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-O 121.022 0.439 . . . . 74.019999999999996 111.047 -175.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.92 -23.74 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-O 121.029 0.442 . . . . 62.210000000000001 111.363 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.501 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 0.9 OUTLIER -130.89 125.64 34.06 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 109.618 -0.512 . . . . 73.040000000000006 109.618 -169.873 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.444 ' O ' ' HA ' ' A' ' 30' ' ' PHE . . . -127.41 106.66 9.35 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 123.288 0.368 . . . . 72.140000000000001 110.695 174.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.26 106.1 19.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 109.557 -0.535 . . . . 73.129999999999995 109.557 176.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -101.69 132.31 47.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.452 -0.573 . . . . 73.230000000000004 109.452 176.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.1 t -137.75 134.76 35.67 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.019 -0.991 . . . . 71.319999999999993 109.882 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.49 ' HA ' ' O ' ' A' ' 66' ' ' THR . 9.1 mp -79.43 111.33 15.58 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.314 -0.624 . . . . 65.109999999999999 109.314 171.267 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -103.85 97.78 7.73 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.249 -1.019 . . . . 41.119999999999997 108.249 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.09 -89.96 1.39 Allowed Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.312 -1.115 . . . . 65.409999999999997 110.312 -168.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -133.68 -6.52 2.84 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 122.497 0.319 . . . . 72.040000000000006 111.419 175.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 15.0 t -95.28 145.1 25.32 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 121.081 0.467 . . . . 74.420000000000002 111.788 -173.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -90.09 101.16 13.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.337 0.589 . . . . 74.109999999999999 109.65 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -97.56 115.13 27.26 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.046 -0.979 . . . . 65.430000000000007 109.248 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -117.26 133.12 56.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.639 -0.71 . . . . 71.310000000000002 110.62 -176.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 20.7 m-90 -112.97 123.63 50.77 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.467 -0.938 . . . . 71.200000000000003 108.467 171.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.501 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 15.3 mtm180 -116.82 124.88 50.63 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-O 121.657 0.741 . . . . 72.140000000000001 111.071 176.123 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -110.35 150.02 29.39 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-N 114.15 -1.386 . . . . 74.239999999999995 110.428 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.8 p -78.11 164.76 24.72 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 124.196 0.935 . . . . 64.25 110.001 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.421 ' CE2' ' HD2' ' A' ' 50' ' ' PHE . 91.0 t80 -66.03 -39.94 90.61 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.923 0.764 . . . . 54.340000000000003 112.08 -175.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -76.68 -18.29 58.63 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 112.766 0.654 . . . . 73.140000000000001 112.766 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.38 -32.28 71.21 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 123.437 0.461 . . . . 72.140000000000001 110.607 170.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.0 t -76.39 -28.13 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 123.434 0.694 . . . . 71.319999999999993 110.804 172.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.4 mmt -67.15 -42.69 83.94 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 122.471 0.308 . . . . 73.299999999999997 111.37 175.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -90.48 7.69 37.6 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 123.563 0.54 . . . . 75.549999999999997 112.454 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.05 124.76 21.43 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 123.514 0.509 . . . . 70.120000000000005 111.01 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.435 ' OE1' ' HD3' ' A' ' 90' ' ' ARG . 36.2 mt-10 -92.5 122.13 64.97 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.044 -0.98 . . . . 71.129999999999995 110.686 -171.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -70.89 115.04 4.08 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 122.272 1.981 . . . . 53.219999999999999 111.667 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -74.88 172.75 11.68 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.491 -0.777 . . . . 75.049999999999997 110.529 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.08 -4.93 41.41 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.752 -0.658 . . . . 73.329999999999998 112.38 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -76.54 -23.98 53.62 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.961 0.504 . . . . 73.200000000000003 111.231 173.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.45 -15.13 36.78 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 115.054 0.781 . . . . 74.329999999999998 115.054 176.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -120.68 -10.25 9.22 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 117.874 0.837 . . . . 73.140000000000001 109.543 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.5 t -99.03 146.92 25.55 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.402 -0.817 . . . . 74.400000000000006 110.601 -174.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -131.57 142.09 49.83 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.578 -0.737 . . . . 71.420000000000002 110.462 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HD3' ' OE1' ' A' ' 81' ' ' GLU . 34.3 ttt180 -97.1 107.16 19.63 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.845 -0.798 . . . . 71.030000000000001 108.845 171.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.89 100.23 13.12 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.448 -0.945 . . . . 70.409999999999997 108.448 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 t -91.09 129.31 37.1 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.873 0.844 . . . . 72.109999999999999 109.697 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.4 p -129.72 178.97 6.11 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.224 -1.353 . . . . 35.009999999999998 109.031 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.76 -12.62 84.28 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.939 -0.648 . . . . 44.5 111.636 169.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -78.51 -45.76 21.19 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 123.27 0.628 . . . . 72.109999999999999 110.008 174.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.24 -113.14 0.52 Allowed Glycine 0 N--CA 1.447 -0.588 0 O-C-N 123.39 0.431 . . . . 63.350000000000001 112.17 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.4 136.77 17.66 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 123.694 0.798 . . . . 35.340000000000003 109.967 -173.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -139.72 122.97 16.98 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.722 -0.672 . . . . 71.219999999999999 109.804 -175.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.624 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 18.6 tt0 -83.69 103.53 13.07 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.705 -0.622 . . . . 74.340000000000003 111.36 -178.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 32.5 mt -92.17 111.0 22.39 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.12 -0.632 . . . . 74.510000000000005 109.51 176.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -114.7 115.64 27.41 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-O 121.072 0.463 . . . . 74.340000000000003 110.132 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 23.2 m -83.43 131.04 35.05 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 114.925 -1.034 . . . . 72.109999999999999 110.276 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.46 -0.791 . . . . 70.540000000000006 109.662 -178.739 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 113.892 1.071 . . . . 73.400000000000006 113.892 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.535 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 95.9 m-85 -77.77 150.36 34.35 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.661 -1.154 . . . . 73.120000000000005 108.191 177.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.498 HD13 ' CD1' ' A' ' 89' ' ' TRP . 55.9 tp -61.9 -27.77 69.05 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 117.798 0.272 . . . . 71.329999999999998 110.866 176.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.616 HD11 HD22 ' A' ' 37' ' ' LEU . 38.0 tp -65.74 -35.83 81.84 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 123.532 0.52 . . . . 75.530000000000001 111.808 172.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.58 -32.67 62.46 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.022 0.529 . . . . 64.030000000000001 110.782 176.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 52.5 mm-40 -68.07 -40.26 82.76 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.702 0.626 . . . . 72.150000000000006 112.292 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.501 HD13 HD22 ' A' ' 32' ' ' LEU . 3.5 pp -75.07 -22.06 58.58 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.642 0.589 . . . . 71.329999999999998 111.969 -175.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -71.3 -22.72 61.91 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.563 -0.744 . . . . 73.030000000000001 112.103 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.3 p -123.62 27.91 7.18 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.861 -0.609 . . . . 71.340000000000003 110.709 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.68 142.95 40.13 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.974 0.416 . . . . 73.030000000000001 111.857 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -99.12 -46.03 5.71 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 115.385 -0.825 . . . . 62.200000000000003 110.798 174.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.8 ttp -124.3 129.79 51.36 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.461 -0.57 . . . . 60.109999999999999 109.461 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.1 tp -114.15 125.13 53.6 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.274 -0.639 . . . . 73.109999999999999 109.274 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 10.3 tt0 -101.79 151.09 22.47 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.993 -1.003 . . . . 63.049999999999997 111.141 -172.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 23.9 mt -124.85 96.83 4.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 123.471 0.708 . . . . 64.450000000000003 109.814 169.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 t70 49.98 63.88 2.01 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.501 1.52 . . . . 64.409999999999997 113.009 174.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.01 -23.19 6.11 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 115.478 -0.783 . . . . 74.049999999999997 114.423 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 tt -105.21 107.57 18.63 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.06 -1.089 . . . . 74.120000000000005 108.06 -177.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 48.5 p-80 -78.96 143.37 35.82 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.697 -0.801 . . . . 72.109999999999999 110.762 -177.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.07 134.18 35.03 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.195 -1.039 . . . . 75.209999999999994 108.195 173.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.1 p-90 -73.17 -26.83 61.33 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.762 0.315 . . . . 74.420000000000002 110.758 -174.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -139.01 140.33 38.13 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.363 -0.606 . . . . 73.540000000000006 109.363 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -141.01 144.63 35.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.201 0.524 . . . . 73.129999999999995 109.621 173.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -127.38 139.54 52.78 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.744 -0.662 . . . . 74.120000000000005 110.095 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.501 HD22 HD13 ' A' ' 14' ' ' LEU . 48.5 mt -102.66 139.03 38.78 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.835 -1.075 . . . . 63.049999999999997 108.292 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.581 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 49.5 t-20 -79.46 89.71 5.04 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 108.172 -1.047 . . . . 65.319999999999993 108.172 172.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.78 -21.71 57.13 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 123.909 0.756 . . . . 75.120000000000005 111.985 -170.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -70.24 -40.44 74.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.99 0.806 . . . . 71.030000000000001 110.297 174.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.9 tp -76.5 -26.78 55.63 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.815 -0.63 . . . . 53.109999999999999 111.06 177.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.616 HD22 HD11 ' A' ' 11' ' ' LEU . 25.5 mt -84.07 -17.14 41.26 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.744 0.307 . . . . 75.340000000000003 111.664 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.83 -34.46 71.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.494 -0.776 . . . . 72.549999999999997 109.316 171.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -83.75 -28.69 28.02 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 114.761 -1.109 . . . . 65.530000000000001 111.133 177.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.1 81.81 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.03 0.443 . . . . 74.109999999999999 110.825 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -77.09 -35.02 56.82 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 114.889 -1.05 . . . . 72.319999999999993 110.336 177.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.8 -45.16 93.19 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.083 0.953 . . . . 74.209999999999994 110.703 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.06 93.13 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.455 -0.793 . . . . 61.140000000000001 111.278 178.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.61 68.18 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.466 0.543 . . . . 72.530000000000001 112.466 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -70.47 -32.22 69.67 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.152 0.581 . . . . 74.439999999999998 110.835 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.19 8.7 31.69 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.858 -0.61 . . . . 45.32 112.375 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t70 68.38 24.93 7.1 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.664 1.186 . . . . 53.329999999999998 111.378 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -107.62 137.93 19.84 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.539 -0.755 . . . . 74.439999999999998 109.985 -177.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.27 124.62 7.93 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.112 1.875 . . . . 52.25 111.444 173.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -94.89 134.8 37.14 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.704 -0.48 . . . . 74.310000000000002 109.704 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.72 131.16 18.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.462 -0.79 . . . . 61.009999999999998 109.31 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 71.1 m -145.89 132.73 20.1 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 121.11 0.481 . . . . 52.200000000000003 111.311 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -82.08 -1.46 48.63 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.871 -0.604 . . . . 73.209999999999994 111.947 175.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.78 163.86 27.4 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 109.597 -0.52 . . . . 73.340000000000003 109.597 171.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.3 p-90 -72.27 151.89 42.51 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.742 0.417 . . . . 74.129999999999995 110.834 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.408 ' CG2' HD21 ' A' ' 37' ' ' LEU . 10.6 p -131.13 -26.35 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.02 0.438 . . . . 64.329999999999998 110.91 172.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.71 129.42 47.09 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.346 -0.388 . . . . 73.510000000000005 110.878 -175.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -129.3 100.85 5.74 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.828 0.823 . . . . 75.109999999999999 109.547 171.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.51 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -103.12 126.93 57.37 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 114.108 -1.405 . . . . 65.510000000000005 108.721 -179.619 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -121.99 144.5 48.85 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.297 0.57 . . . . 71.019999999999996 110.912 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 t -140.72 119.54 12.57 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.076 -0.965 . . . . 64.409999999999997 109.611 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 66' ' ' THR . 6.3 mp -89.09 106.49 18.47 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.963 -0.695 . . . . 75.349999999999994 109.595 174.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -105.07 107.6 18.67 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.992 -1.114 . . . . 72.019999999999996 107.992 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.94 -93.82 1.19 Allowed Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.17 -1.172 . . . . 72.430000000000007 110.17 -169.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -130.83 -16.02 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 122.792 0.437 . . . . 74.510000000000005 110.971 173.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 6.1 t -77.28 135.41 38.42 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.409 0.623 . . . . 74.349999999999994 110.944 -173.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 63.2 ttt-85 -95.81 105.66 17.7 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.906 -0.588 . . . . 74.140000000000001 109.518 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.96 112.73 24.79 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.695 -0.684 . . . . 73.25 109.16 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -113.43 126.06 54.92 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.092 0.472 . . . . 60.130000000000003 109.746 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.51 ' HB2' HG23 ' A' ' 59' ' ' VAL . 8.9 m-90 -108.18 123.22 48.41 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.063 -0.971 . . . . 62.119999999999997 108.504 172.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -111.45 117.33 32.74 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.903 -0.777 . . . . 65.540000000000006 108.903 174.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -104.27 138.94 39.98 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.925 -1.034 . . . . 65.420000000000002 109.725 -177.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.4 m -72.95 156.81 38.47 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.937 0.773 . . . . 75.519999999999996 110.307 176.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -64.85 -36.22 83.64 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.128 -0.487 . . . . 64.019999999999996 110.573 175.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -66.82 -30.51 70.72 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.034 -0.985 . . . . 72.439999999999998 110.825 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.56 -24.39 53.57 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 123.684 0.615 . . . . 73.120000000000005 111.815 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.5 t -82.18 -25.88 9.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.236 0.614 . . . . 50.200000000000003 110.877 175.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.8 mmt -71.85 -33.76 68.71 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.124 -0.489 . . . . 71.230000000000004 111.499 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -91.84 4.17 53.48 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.519 0.563 . . . . 64.540000000000006 112.519 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.48 115.37 4.18 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.949 0.404 . . . . 61.119999999999997 111.915 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -85.23 123.85 72.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 114.869 -1.06 . . . . 72.209999999999994 111.61 -168.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -63.37 117.0 3.96 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 123.08 2.52 . . . . 70.450000000000003 113.34 175.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -75.94 170.4 16.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.981 -0.554 . . . . 72.319999999999993 109.771 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.01 -7.13 53.94 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.815 -0.63 . . . . 55.25 111.364 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -74.95 -25.7 59.07 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.127 -0.942 . . . . 61.43 110.402 171.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.58 -19.14 5.1 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 115.339 0.895 . . . . 73.040000000000006 115.339 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -112.53 -16.25 12.9 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 118.118 0.959 . . . . 74.209999999999994 110.598 177.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.4 m -96.17 143.31 27.4 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.566 -0.743 . . . . 73.430000000000007 110.451 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.498 ' CD1' HD13 ' A' ' 10' ' ' LEU . 62.1 m95 -129.89 130.43 45.17 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 115.03 -0.986 . . . . 71.400000000000006 109.642 -174.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -84.09 104.9 14.53 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.135 -0.691 . . . . 70.400000000000006 109.135 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.42 99.18 11.98 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 108.236 -1.024 . . . . 62.420000000000002 108.236 178.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.6 p -83.42 133.34 34.93 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-O 121.362 0.601 . . . . 54.210000000000001 110.257 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.3 p -131.67 -178.72 4.99 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.73 -1.123 . . . . 71.349999999999994 109.491 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.3 -13.65 82.63 Favored Glycine 0 C--O 1.222 -0.61 0 N-CA-C 111.878 -0.489 . . . . 73.109999999999999 111.878 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -85.98 -41.66 14.69 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 122.881 0.473 . . . . 71.510000000000005 110.944 175.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 171.18 -116.01 0.61 Allowed Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.929 -0.653 . . . . 61.009999999999998 112.825 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -155.48 121.65 5.16 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 122.939 0.496 . . . . 70.030000000000001 111.003 -176.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -109.34 164.36 12.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.57 -0.741 . . . . 73.010000000000005 110.579 -176.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.523 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 24.8 tt0 -111.05 104.2 12.74 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.054 -0.521 . . . . 71.530000000000001 109.722 173.609 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 32.8 mt -92.86 116.78 29.35 Favored 'General case' 0 C--O 1.21 -1.026 0 N-CA-C 109.105 -0.702 . . . . 72.510000000000005 109.105 175.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -121.2 121.89 38.77 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 121.521 0.677 . . . . 65.030000000000001 110.651 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 3.3 p -83.72 116.13 22.52 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.233 -1.349 . . . . 72.420000000000002 111.467 -176.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.3 mt . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.059 -0.973 . . . . 71.120000000000005 110.277 -176.245 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 . . . . . 0 CA--C 1.499 -1.011 0 CA-C-O 121.911 0.862 . . . . 72.109999999999999 109.067 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -97.29 -177.92 4.0 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.102 -1.408 . . . . 54.130000000000003 107.203 169.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.52 HD13 ' CD1' ' A' ' 89' ' ' TRP . 42.8 tp -66.83 -26.91 67.15 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.383 -0.527 . . . . 74.010000000000005 110.153 173.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.0 tp -56.65 -47.52 79.59 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 123.906 0.754 . . . . 73.109999999999999 111.783 172.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.81 -29.59 69.57 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.802 0.441 . . . . 74.049999999999997 111.574 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.502 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 9.8 mm-40 -88.11 -29.1 20.85 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.947 0.721 . . . . 71.010000000000005 112.947 -174.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 3.3 pp -77.2 -20.47 55.31 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.316 0.507 . . . . 73.25 111.177 174.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -66.28 -21.32 66.27 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 123.579 0.752 . . . . 73.329999999999998 112.621 172.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.6 p -124.86 4.49 8.08 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 112.599 0.592 . . . . 74.329999999999998 112.599 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.23 104.47 2.65 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.187 0.449 . . . . 71.019999999999996 111.347 -177.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -73.26 -44.75 58.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.744 0.783 . . . . 51.329999999999998 109.067 175.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 28.2 ttp -120.6 141.65 50.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.292 -1.322 . . . . 63.420000000000002 108.178 170.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.9 tp -125.19 138.82 54.13 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.789 -0.819 . . . . 65.010000000000005 108.789 176.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 10.2 tt0 -120.6 148.04 44.41 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.864 -0.791 . . . . 75.409999999999997 108.864 -176.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.487 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 17.5 tt -136.05 109.92 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-O 122.086 0.946 . . . . 74.019999999999996 111.264 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 60.69 40.28 16.54 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 125.018 1.327 . . . . 74.540000000000006 111.52 176.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.01 3.13 88.0 Favored Glycine 0 CA--C 1.526 0.781 0 CA-C-N 115.934 -0.575 . . . . 63.229999999999997 113.75 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 tt -121.82 115.21 22.22 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.798 -1.186 . . . . 74.519999999999996 107.798 -176.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -70.95 146.57 49.4 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 120.942 -0.303 . . . . 70.0 111.044 -176.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.77 155.06 29.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 72.319999999999993 109.857 174.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -97.32 -29.95 13.24 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.66 -0.867 . . . . 75.150000000000006 108.66 173.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -149.65 159.01 44.68 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.091 -0.707 . . . . 74.420000000000002 109.091 169.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -148.28 149.53 32.02 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.282 -0.636 . . . . 62.039999999999999 109.282 169.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -124.58 140.47 52.91 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.866 -0.606 . . . . 72.010000000000005 110.506 -175.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.44 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 88.4 mt -106.28 152.29 23.71 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.72 -0.474 . . . . 65.120000000000005 109.72 174.091 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.444 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.9 t-20 -77.89 94.33 4.54 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 106.981 -1.488 . . . . 73.219999999999999 106.981 170.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.96 -42.57 84.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.142 -1.39 . . . . 74.400000000000006 111.405 -169.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -61.66 -39.22 90.61 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 124.79 1.306 . . . . 62.030000000000001 112.229 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.1 tp -72.54 -25.27 61.31 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 122.493 0.317 . . . . 70.540000000000006 111.289 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 73.8 mt -84.02 -20.84 32.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.368 -0.378 . . . . 64.510000000000005 111.584 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -69.4 -36.72 77.01 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 109.785 -0.45 . . . . 23.41 109.785 167.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -77.72 -27.87 50.73 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.736 0.647 . . . . 73.340000000000003 111.738 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.1 -39.55 68.84 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 122.976 0.51 . . . . 60.399999999999999 111.295 177.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -74.22 -33.89 63.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.32 -0.854 . . . . 54.539999999999999 110.708 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.05 -43.27 96.03 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.005 0.922 . . . . 61.149999999999999 110.847 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.85 -39.88 87.74 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.502 -0.772 . . . . 72.409999999999997 110.971 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.38 -32.87 74.53 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 123.415 0.447 . . . . 65.049999999999997 112.011 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.35 -24.33 62.07 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.079 0.552 . . . . 74.25 111.967 173.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.41 9.99 36.16 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.111 0.411 . . . . 72.0 112.111 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 64.18 37.09 9.08 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 125.126 1.37 . . . . 72.129999999999995 111.066 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -117.06 135.28 23.03 Favored Pre-proline 0 C--N 1.312 -1.027 0 CA-C-N 114.956 -1.02 . . . . 73.349999999999994 109.233 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -75.13 124.22 8.38 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.4 1.4 . . . . 42.100000000000001 110.291 168.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -87.79 130.41 34.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 109.48 -0.563 . . . . 73.239999999999995 109.48 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.37 122.67 21.74 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.589 -0.732 . . . . 64.140000000000001 109.521 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -137.35 140.6 41.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.337 -0.392 . . . . 55.409999999999997 110.052 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -94.97 9.58 38.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.784 0.326 . . . . 71.299999999999997 110.913 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -78.18 162.4 26.63 Favored 'General case' 0 C--N 1.343 0.283 0 N-CA-C 108.778 -0.823 . . . . 74.340000000000003 108.778 174.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -65.38 151.66 45.75 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 123.599 0.562 . . . . 71.299999999999997 109.63 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 32' ' ' LEU . 8.2 p -135.28 -18.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 O-C-N 122.25 -0.281 . . . . 72.109999999999999 111.039 175.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.6 tp -150.85 113.86 4.78 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 121.568 0.699 . . . . 75.510000000000005 111.697 -172.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.4 106.03 16.37 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 114.596 -1.183 . . . . 70.310000000000002 108.742 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.1 t -99.09 109.4 24.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.383 -0.969 . . . . 74.239999999999995 108.383 -174.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -111.09 126.27 54.65 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.979 0.895 . . . . 63.32 110.985 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.9 m -130.94 159.27 37.94 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.698 -1.137 . . . . 75.450000000000003 109.141 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.5 mt -112.2 106.28 14.83 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.439 -0.578 . . . . 74.5 109.439 173.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -95.54 94.4 7.75 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 122.261 1.029 . . . . 75.409999999999997 110.23 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.75 -96.14 2.17 Favored Glycine 0 N--CA 1.434 -1.489 0 N-CA-C 108.687 -1.765 . . . . 72.310000000000002 108.687 -177.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 25.15 2.11 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 122.226 1.013 . . . . 73.040000000000006 108.366 166.213 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -95.85 127.59 42.0 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 114.025 -1.443 . . . . 71.530000000000001 109.31 176.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -91.19 108.5 19.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.313 -0.625 . . . . 71.549999999999997 109.313 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -117.71 120.53 38.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.965 -1.016 . . . . 71.150000000000006 110.258 -172.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -125.71 129.21 49.08 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 120.98 0.419 . . . . 72.299999999999997 110.172 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 17.9 m-90 -107.38 122.21 46.13 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.326 -0.852 . . . . 73.420000000000002 109.118 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -102.05 120.59 40.68 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.375 0.607 . . . . 72.409999999999997 110.018 175.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -108.41 142.91 38.06 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.624 -1.171 . . . . 74.519999999999996 109.38 178.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 98.4 p -85.29 166.73 16.24 Favored 'General case' 0 N--CA 1.443 -0.819 0 O-C-N 123.964 0.79 . . . . 71.430000000000007 109.714 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -64.1 -36.19 83.23 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.724 -0.671 . . . . 73.239999999999995 110.298 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.45 -35.92 81.48 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 112.042 0.386 . . . . 74.140000000000001 112.042 177.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.9 -35.78 74.9 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 123.577 0.548 . . . . 63.100000000000001 112.428 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.6 m -78.01 -18.7 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 112.174 0.435 . . . . 74.319999999999993 112.174 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.9 mmt -76.88 -37.0 56.33 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 122.527 0.331 . . . . 63.210000000000001 111.115 173.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -100.84 1.94 40.57 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.486 0.55 . . . . 63.329999999999998 112.486 -178.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.25 125.68 23.83 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 123.043 0.537 . . . . 74.420000000000002 110.883 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 90' ' ' ARG . 30.0 mt-10 -75.61 120.78 83.21 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.594 1.184 . . . . 73.040000000000006 111.352 -162.189 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -62.7 117.64 4.53 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.615 2.21 . . . . 72.25 111.41 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -89.0 162.56 15.98 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.787 -0.642 . . . . 73.439999999999998 109.323 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.89 -6.69 48.76 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.605 0.594 . . . . 72.340000000000003 112.605 -176.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.8 -24.2 61.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.482 0.713 . . . . 71.340000000000003 110.879 175.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.27 -14.97 31.12 Favored Glycine 0 C--N 1.346 1.095 0 N-CA-C 114.308 0.483 . . . . 63.219999999999999 114.308 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -120.68 -14.42 8.59 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.663 -0.495 . . . . 75.420000000000002 109.663 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 63.6 m -98.14 148.38 23.62 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.713 -0.676 . . . . 73.150000000000006 111.689 -177.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.52 ' CD1' HD13 ' A' ' 10' ' ' LEU . 54.0 m95 -135.34 146.71 48.68 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 114.718 -1.128 . . . . 73.099999999999994 108.279 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.402 ' HB3' ' HB2' ' A' ' 81' ' ' GLU . 45.5 ttp180 -109.76 113.03 25.44 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 120.065 -0.654 . . . . 52.210000000000001 110.44 179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.438 HD21 ' CD2' ' A' ' 10' ' ' LEU . 4.5 mm? -91.72 97.97 11.34 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 114.75 -1.114 . . . . 62.039999999999999 108.229 176.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.1 m -98.76 109.89 22.58 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.267 -1.012 . . . . 74.439999999999998 108.267 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.3 p -112.77 -171.63 1.9 Allowed 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 113.542 -1.663 . . . . 72.209999999999994 109.081 -173.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.45 -13.26 83.73 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.891 -0.671 . . . . 52.5 112.245 174.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -99.83 -2.1 35.84 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.571 0.349 . . . . 63.229999999999997 111.894 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.73 -131.56 4.52 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 120.773 -0.727 . . . . 45.530000000000001 113.196 173.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.69 114.67 4.7 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.587 0.755 . . . . 75.230000000000004 109.492 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -118.69 118.11 30.75 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.292 0.637 . . . . 63.539999999999999 110.075 -172.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.487 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 24.7 tt0 -86.54 105.34 16.76 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-O 121.022 0.439 . . . . 74.120000000000005 111.797 -175.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.405 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 24.9 mt -91.37 111.2 22.59 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.423 0.63 . . . . 64.439999999999998 110.644 178.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -112.38 121.98 46.41 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 114.941 -1.027 . . . . 60.299999999999997 110.003 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 9.4 p -82.56 131.94 35.2 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.557 -0.747 . . . . 63.439999999999998 109.763 177.15 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.8 mt . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.261 -0.881 . . . . 74.310000000000002 109.441 -176.952 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.1 mtt85 . . . . . 0 CA--C 1.51 -0.589 0 CA-C-O 122.344 1.069 . . . . 72.349999999999994 110.839 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -98.1 169.06 9.87 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.167 -1.379 . . . . 73.129999999999995 108.038 173.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.527 HD13 ' CD1' ' A' ' 89' ' ' TRP . 51.1 tp -69.75 -29.08 66.35 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.529 -0.545 . . . . 65.430000000000007 109.529 169.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.1 tp -57.65 -44.5 85.69 Favored 'General case' 0 C--O 1.221 -0.423 0 O-C-N 123.894 0.746 . . . . 73.530000000000001 111.44 171.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -66.99 -36.32 81.9 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.038 -0.528 . . . . 62.140000000000001 111.255 177.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.08 -41.9 60.99 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 113.649 0.981 . . . . 73.120000000000005 113.649 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.428 HD13 HD22 ' A' ' 32' ' ' LEU . 2.9 pp -68.7 -21.52 64.41 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 112.705 0.632 . . . . 71.049999999999997 112.705 -175.122 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.59 -43.03 93.83 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.947 0.899 . . . . 71.109999999999999 112.439 177.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 p -107.08 -19.96 13.45 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 112.769 0.655 . . . . 74.140000000000001 112.769 -175.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.15 133.26 54.87 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.394 0.678 . . . . 74.230000000000004 112.454 -176.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -91.12 -54.35 3.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.725 0.774 . . . . 62.310000000000002 109.954 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.4 ttp -108.86 137.4 46.85 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.726 -1.124 . . . . 74.129999999999995 109.272 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mt -122.6 143.02 50.02 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.803 -0.443 . . . . 60.5 109.803 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 74.9 mt-10 -109.09 154.8 21.76 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.659 -0.867 . . . . 74.5 108.659 172.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 12.0 tt -144.85 95.15 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-O 122.103 0.954 . . . . 73.120000000000005 112.183 173.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.485 ' HB2' ' H ' ' A' ' 99' ' ' GLN . 38.9 t70 52.03 59.2 4.71 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 113.989 -1.46 . . . . 65.310000000000002 111.641 178.337 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.65 -24.74 11.2 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-N 114.866 -1.061 . . . . 72.219999999999999 114.126 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.73 155.97 26.48 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 117.366 0.583 . . . . 52.43 110.18 176.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -119.73 112.74 19.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.4 -0.364 . . . . 75.129999999999995 110.88 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.65 115.3 19.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.634 -0.506 . . . . 74.239999999999995 109.634 174.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -77.9 -25.14 48.3 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.308 -0.86 . . . . 75.0 109.341 -178.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -149.53 167.54 25.99 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.693 -1.14 . . . . 63.149999999999999 108.411 176.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -158.04 151.36 23.25 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 123.706 0.628 . . . . 64.019999999999996 109.989 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -111.57 134.46 53.13 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.185 -0.672 . . . . 70.120000000000005 109.185 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.428 HD22 HD13 ' A' ' 14' ' ' LEU . 96.5 mt -104.36 150.86 24.12 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.285 -0.87 . . . . 52.539999999999999 110.675 176.184 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.582 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 51.0 t-20 -84.33 81.92 8.61 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.568 -1.271 . . . . 62.240000000000002 107.568 169.349 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -77.8 -17.95 56.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.283 -0.871 . . . . 73.310000000000002 112.238 -169.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -65.34 -44.8 86.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.137 -0.938 . . . . 71.510000000000005 109.769 170.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.2 tp -76.87 -25.18 52.8 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.327 -0.851 . . . . 71.019999999999996 111.462 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 69.1 mt -78.83 -28.62 44.44 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.252 0.464 . . . . 54.439999999999998 112.252 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.74 -43.07 99.77 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.782 0.676 . . . . 74.230000000000004 110.153 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -72.51 -27.6 62.36 Favored 'General case' 0 C--O 1.225 -0.235 0 O-C-N 124.286 0.991 . . . . 73.439999999999998 111.522 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.22 -46.11 78.37 Favored 'General case' 0 CA--C 1.518 -0.28 0 O-C-N 123.732 0.645 . . . . 60.329999999999998 111.496 178.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.15 -26.59 39.31 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.366 -0.833 . . . . 61.219999999999999 110.664 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.0 -50.51 73.1 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.308 1.043 . . . . 74.010000000000005 110.247 173.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.28 -35.87 78.52 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.567 -0.742 . . . . 44.409999999999997 111.29 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.66 75.25 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.534 0.568 . . . . 51.210000000000001 112.534 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.39 -32.13 71.98 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.041 -0.527 . . . . 75.239999999999995 111.299 171.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.62 7.65 16.71 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.394 0.678 . . . . 72.530000000000001 112.791 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.2 t70 70.37 23.22 5.04 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.103 1.361 . . . . 75.409999999999997 111.606 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -113.79 129.53 24.64 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.789 -0.641 . . . . 73.319999999999993 109.599 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -64.7 125.62 15.21 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.303 2.002 . . . . 73.439999999999998 111.613 173.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -93.93 125.97 38.87 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.884 -0.784 . . . . 74.239999999999995 108.884 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -140.24 119.19 12.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.692 -0.686 . . . . 75.510000000000005 109.814 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 74' ' ' TYR . 42.2 t -128.32 147.86 50.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.466 -0.788 . . . . 71.099999999999994 109.69 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -95.35 -4.0 46.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.234 -0.439 . . . . 63.43 111.089 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -74.28 164.49 26.54 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.55 -0.537 . . . . 73.030000000000001 109.55 176.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -67.29 159.95 28.16 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 123.231 0.332 . . . . 72.030000000000001 110.686 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.7 p -137.86 -31.01 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.854 0.359 . . . . 61.020000000000003 111.899 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.4 tp -140.67 124.21 16.93 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.11 0.481 . . . . 75.019999999999996 111.029 -172.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.1 107.41 13.01 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.187 -0.915 . . . . 65.430000000000007 108.871 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -100.1 126.57 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 120.923 0.392 . . . . 73.109999999999999 110.365 -176.546 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -110.41 115.77 30.25 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.601 0.715 . . . . 62.200000000000003 110.814 -177.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.7 m -122.62 134.02 54.52 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.651 -1.159 . . . . 54.509999999999998 108.671 173.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.5 mt -75.72 107.07 7.63 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.895 -0.779 . . . . 64.430000000000007 108.895 173.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -108.96 104.75 14.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.342 -0.844 . . . . 71.25 108.865 -179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.59 -115.13 3.96 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.276 -1.129 . . . . 75.409999999999997 110.276 -169.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -118.53 5.29 11.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.663 0.744 . . . . 73.299999999999997 109.313 170.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -92.63 141.79 28.09 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.556 -1.202 . . . . 41.399999999999999 110.523 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.546 ' H ' ' HD2' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -91.39 98.95 12.01 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 122.3 1.047 . . . . 74.450000000000003 108.532 170.365 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -96.03 121.95 38.34 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.691 -1.141 . . . . 75.109999999999999 109.557 -171.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 30.1 tt0 -115.24 133.14 56.31 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.245 -0.889 . . . . 73.120000000000005 110.263 -176.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 19.8 m-90 -110.45 125.27 53.1 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.163 -0.68 . . . . 71.219999999999999 109.163 174.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -104.3 124.3 48.93 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.017 -0.992 . . . . 73.329999999999998 109.511 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -111.27 137.66 48.72 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.119 -0.946 . . . . 63.109999999999999 110.206 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.2 m -74.92 159.12 32.24 Favored 'General case' 0 N--CA 1.444 -0.743 0 O-C-N 124.199 0.937 . . . . 71.239999999999995 109.411 173.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.448 ' HB3' ' O ' ' A' ' 52' ' ' SER . 51.1 t80 -65.47 -37.67 87.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.231 -0.44 . . . . 72.299999999999997 111.192 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -74.01 -20.55 60.29 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.482 0.549 . . . . 62.119999999999997 112.482 176.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.96 -35.51 62.11 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.277 0.56 . . . . 73.109999999999999 110.784 173.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.8 t -74.7 -24.24 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 CA-C-N 115.926 -0.579 . . . . 72.140000000000001 111.195 175.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.8 mmt -71.11 -37.43 72.35 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.489 0.551 . . . . 54.140000000000001 112.489 173.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -88.81 6.49 38.72 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.181 0.437 . . . . 51.009999999999998 112.181 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.429 ' HB2' HD22 ' A' ' 91' ' ' LEU . . . -61.65 116.81 5.07 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.726 0.298 . . . . 74.430000000000007 111.61 176.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -80.21 125.05 82.26 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.303 -0.862 . . . . 60.340000000000003 111.512 -175.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -67.14 125.48 13.63 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 121.715 1.61 . . . . 73.140000000000001 110.61 171.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -82.24 176.47 9.44 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.661 -0.496 . . . . 62.340000000000003 109.661 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.25 -22.32 61.99 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.526 0.565 . . . . 62.439999999999998 112.526 -175.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -80.61 -21.05 41.91 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.662 -0.244 . . . . 50.130000000000003 111.515 174.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.84 -13.67 55.52 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 115.144 0.818 . . . . 73.420000000000002 115.144 173.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -99.03 -30.71 12.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.373 0.587 . . . . 73.400000000000006 110.112 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.0 m -88.55 143.35 27.02 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.652 -0.704 . . . . 53.130000000000003 110.529 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.527 ' CD1' HD13 ' A' ' 10' ' ' LEU . 60.4 m95 -125.78 129.79 50.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.447 -0.797 . . . . 74.129999999999995 109.048 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -88.12 103.69 15.98 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.398 -0.593 . . . . 74.319999999999993 109.398 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.429 HD22 ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -90.71 100.3 13.17 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 114.932 -1.031 . . . . 72.219999999999999 108.339 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.8 p -91.12 128.0 36.77 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.068 -0.969 . . . . 74.430000000000007 108.978 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 37.8 p -128.34 -173.82 3.05 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.379 -0.828 . . . . 63.32 110.79 -171.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.5 -19.17 76.71 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.592 -0.603 . . . . 43.0 111.592 169.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -77.81 -41.3 37.64 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.073 0.549 . . . . 70.109999999999999 111.621 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.32 -117.08 0.75 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.204 -0.522 . . . . 35.5 112.182 -176.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -143.92 133.79 23.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.343 0.592 . . . . 72.409999999999997 110.64 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.435 ' HB3' ' CG1' ' A' ' 22' ' ' ILE . 86.6 m-85 -131.42 128.97 40.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.053 -0.976 . . . . 62.219999999999999 108.939 -177.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.485 ' H ' ' HB2' ' A' ' 23' ' ' ASP . 22.5 tt0 -95.91 101.79 13.51 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.321 -0.552 . . . . 74.25 110.189 -176.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.539 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 41.6 mt -92.49 109.84 21.24 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.058 -0.519 . . . . 75.420000000000002 109.809 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -112.75 118.08 34.0 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.475 0.655 . . . . 74.209999999999994 110.147 177.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.6 p -83.13 124.45 30.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.391 -1.277 . . . . 64.040000000000006 111.243 -177.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 75.0 mt . . . . . 0 C--N 1.318 -0.765 0 CA-C-N 115.12 -0.945 . . . . 64.310000000000002 109.577 -176.198 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 114.473 1.286 . . . . 72.219999999999999 114.473 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -86.09 171.93 10.98 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.006 -1.452 . . . . 74.299999999999997 107.412 174.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.44 HD13 ' CD1' ' A' ' 89' ' ' TRP . 62.9 tp -68.97 -28.37 66.56 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.337 0.971 . . . . 55.140000000000001 110.002 170.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.1 tp -63.59 -41.86 98.32 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.232 -0.895 . . . . 72.430000000000007 111.348 172.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.18 -29.46 60.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.67 -0.696 . . . . 71.319999999999993 110.992 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.476 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 3.0 mm-40 -68.86 -41.73 78.03 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 115.559 -0.746 . . . . 74.340000000000003 112.695 178.015 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.471 HD13 HD22 ' A' ' 32' ' ' LEU . 3.5 pp -72.66 -23.93 60.97 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.059 0.391 . . . . 61.43 111.683 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -66.98 -27.87 67.8 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.992 0.807 . . . . 72.030000000000001 111.955 172.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.6 p -122.67 28.7 7.19 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 116.441 -0.345 . . . . 71.109999999999999 110.988 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -104.43 148.14 26.76 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.751 -0.593 . . . . 74.409999999999997 110.988 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -110.47 -42.64 4.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.283 0.563 . . . . 61.119999999999997 110.366 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.9 ttp -124.77 129.34 50.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.102 -0.703 . . . . 63.109999999999999 109.102 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -115.11 128.38 56.18 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.313 -0.255 . . . . 75.140000000000001 110.313 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -104.64 148.52 26.45 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.929 -0.578 . . . . 71.129999999999995 109.726 172.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 15.5 tt -135.11 105.5 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 CA-C-O 122.328 1.061 . . . . 54.530000000000001 109.212 177.336 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 62.98 26.44 15.51 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 113.838 -1.528 . . . . 73.200000000000003 111.264 -173.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.23 -20.08 51.91 Favored Glycine 0 C--N 1.341 0.851 0 CA-C-N 116.147 -0.478 . . . . 75.109999999999999 112.746 -177.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.03 107.5 10.64 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.354 -0.61 . . . . 62.200000000000003 109.354 178.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -80.91 125.21 29.83 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.376 -0.53 . . . . 71.400000000000006 110.51 -176.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.41 135.14 44.18 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.373 -0.83 . . . . 74.120000000000005 109.712 174.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 29.1 p-90 -73.94 -28.94 61.75 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 109.166 -0.679 . . . . 75.310000000000002 109.166 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -159.03 139.66 12.52 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.222 -0.899 . . . . 71.140000000000001 109.217 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -119.47 163.03 17.87 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.452 -0.794 . . . . 63.100000000000001 109.216 171.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -132.76 136.25 46.22 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.013 -0.736 . . . . 73.230000000000004 109.013 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.471 HD22 HD13 ' A' ' 14' ' ' LEU . 63.1 mt -108.77 152.19 25.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.127 -0.488 . . . . 71.25 110.381 -176.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.421 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 46.5 t-20 -86.88 85.18 7.25 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 107.824 -1.176 . . . . 73.25 107.824 171.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.22 -24.6 64.04 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 124.149 0.98 . . . . 75.0 112.681 -173.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -71.82 -39.44 69.82 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.993 0.808 . . . . 71.530000000000001 111.347 176.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 tp -79.39 -24.26 42.71 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.248 -0.433 . . . . 71.0 110.884 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 95.9 mt -82.34 -27.2 32.36 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.047 0.539 . . . . 74.209999999999994 111.432 176.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.18 -40.67 94.58 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.415 -0.811 . . . . 61.130000000000003 109.387 171.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -80.64 -19.52 45.14 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 115.018 -0.992 . . . . 71.040000000000006 112.009 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.76 -38.37 64.73 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 123.1 0.25 . . . . 60.439999999999998 110.785 175.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.29 -36.7 61.12 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.773 -0.648 . . . . 65.230000000000004 110.685 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.2 tt -56.29 -45.48 80.15 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.762 1.225 . . . . 64.120000000000005 110.725 172.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.95 73.05 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.394 -0.821 . . . . 63.130000000000003 111.792 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.96 74.59 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.208 0.447 . . . . 72.530000000000001 112.208 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -77.07 -22.15 53.31 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.665 -0.698 . . . . 72.340000000000003 111.625 174.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.64 9.67 33.81 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.888 -0.596 . . . . 64.530000000000001 111.945 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 66.86 25.97 9.41 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.795 1.238 . . . . 63.119999999999997 111.401 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -109.46 122.55 39.14 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.863 -0.608 . . . . 73.519999999999996 109.93 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -66.12 124.38 12.52 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.16 1.907 . . . . 72.239999999999995 110.673 168.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -100.72 124.23 46.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.038 -0.528 . . . . 75.129999999999995 109.916 -173.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -137.02 120.82 17.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.0 0.429 . . . . 71.209999999999994 110.163 175.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.5 t -127.88 147.85 50.46 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.832 -0.622 . . . . 73.140000000000001 110.051 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -99.23 2.38 45.6 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.424 -0.353 . . . . 73.510000000000005 110.881 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -74.36 165.97 24.28 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.802 -0.814 . . . . 74.310000000000002 108.802 174.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.454 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 12.3 p-90 -70.5 155.67 40.4 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 109.889 -0.411 . . . . 71.310000000000002 109.889 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.4 p -133.83 -24.15 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 121.077 0.465 . . . . 74.349999999999994 111.205 174.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.1 tp -145.37 117.8 8.51 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-O 121.409 0.623 . . . . 72.409999999999997 111.308 -171.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.05 108.92 20.23 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.846 -1.07 . . . . 71.409999999999997 108.837 172.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.9 t -100.86 116.68 44.85 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 N-CA-C 106.863 -1.532 . . . . 61.549999999999997 106.863 -176.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -123.2 130.95 53.45 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.591 -0.843 . . . . 72.040000000000006 111.897 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.6 t -137.95 158.72 43.77 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.717 -1.128 . . . . 73.219999999999999 109.711 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.4 mt -111.74 123.54 50.46 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.03 -0.359 . . . . 62.240000000000002 110.03 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -104.67 95.37 5.85 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.39 -0.368 . . . . 75.129999999999995 110.392 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.05 -89.75 0.89 Allowed Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 110.792 -0.923 . . . . 52.25 110.792 -175.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -129.48 -4.36 4.8 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.038 0.535 . . . . 74.239999999999995 111.154 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 t -95.69 170.62 9.2 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 122.019 -0.426 . . . . 75.049999999999997 110.036 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.03 128.96 49.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.94 -0.393 . . . . 70.430000000000007 109.94 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 -122.56 119.92 32.27 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.27 -0.423 . . . . 74.239999999999995 110.228 174.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.48 132.4 54.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.868 0.842 . . . . 64.109999999999999 109.531 171.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 14.7 m-90 -109.83 121.71 45.86 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 107.321 -1.363 . . . . 65.340000000000003 107.321 175.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -112.45 113.99 26.45 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.399 0.619 . . . . 73.349999999999994 109.906 -176.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -104.97 134.71 47.63 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.872 -1.058 . . . . 73.540000000000006 110.349 -176.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 81.9 p -74.48 160.81 30.45 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.071 -0.968 . . . . 74.519999999999996 110.133 175.377 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -60.66 -34.34 74.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.01 -0.995 . . . . 73.510000000000005 110.532 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.4 -37.02 74.4 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 123.878 0.736 . . . . 72.010000000000005 111.907 -178.065 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.412 ' HB1' HD11 ' A' ' 91' ' ' LEU . . . -72.15 -32.44 66.88 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.168 0.508 . . . . 53.310000000000002 111.994 178.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.7 t -76.41 -24.73 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 CA-C-N 115.592 -0.731 . . . . 74.329999999999998 111.181 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.87 -43.61 83.08 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 122.899 0.479 . . . . 65.430000000000007 111.839 174.132 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -92.13 9.58 32.94 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.639 0.607 . . . . 54.420000000000002 112.639 -175.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.87 133.1 54.18 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.669 0.747 . . . . 71.329999999999998 112.058 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.492 ' HB3' ' HB3' ' A' ' 90' ' ' ARG . 28.2 tt0 -93.54 123.94 58.67 Favored Pre-proline 0 C--N 1.316 -0.879 0 CA-C-N 114.092 -1.413 . . . . 72.120000000000005 111.146 -168.452 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -70.07 117.36 5.06 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.839 1.693 . . . . 74.230000000000004 111.418 175.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -82.58 173.24 12.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.742 -0.663 . . . . 73.530000000000001 111.174 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.52 -8.58 56.5 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.616 -0.72 . . . . 54.219999999999999 111.833 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -76.44 -24.07 53.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.076 0.551 . . . . 61.109999999999999 111.075 175.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.64 -15.14 26.7 Favored Glycine 0 C--N 1.339 0.724 0 N-CA-C 114.874 0.709 . . . . 71.049999999999997 114.874 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -123.44 -19.93 5.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.699 0.749 . . . . 60.399999999999999 110.428 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.6 m -93.42 145.25 24.63 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.756 -0.656 . . . . 74.420000000000002 111.133 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.44 ' CD1' HD13 ' A' ' 10' ' ' LEU . 75.8 m95 -125.76 140.44 52.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.778 -1.101 . . . . 75.230000000000004 109.555 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.492 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 63.9 ttt180 -92.63 108.05 19.68 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 109.243 -0.651 . . . . 62.039999999999999 109.243 175.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.412 HD11 ' HB1' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -91.06 100.12 13.03 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 107.924 -1.139 . . . . 75.540000000000006 107.924 175.078 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.8 t -92.04 123.18 35.21 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.005 -0.998 . . . . 54.119999999999997 109.059 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 76.5 p -122.79 -171.42 2.28 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.312 -0.858 . . . . 75.519999999999996 109.938 -176.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.56 -1.79 89.17 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 121.223 -0.513 . . . . 74.510000000000005 112.222 171.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -98.24 -48.86 4.92 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.311 -0.626 . . . . 71.230000000000004 109.311 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.79 -115.69 0.55 Allowed Glycine 0 C--N 1.34 0.76 0 C-N-CA 120.857 -0.687 . . . . 70.200000000000003 113.194 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -146.62 133.29 19.92 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.159 0.584 . . . . 64.120000000000005 110.546 -174.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.441 ' HB3' HD11 ' A' ' 22' ' ' ILE . 84.0 m-85 -130.35 117.23 19.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.374 -0.83 . . . . 75.430000000000007 108.86 -177.415 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.51 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 11.9 tt0 -84.19 100.42 11.16 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.935 0.398 . . . . 65.409999999999997 110.735 -175.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.2 mt -93.35 109.06 20.62 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.153 0.501 . . . . 54.210000000000001 110.395 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -109.39 119.52 39.71 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.809 -0.632 . . . . 74.200000000000003 109.489 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 36.4 m -92.07 121.64 33.82 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 114.43 -1.259 . . . . 72.310000000000002 111.157 -174.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.3 mt . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 114.98 -1.009 . . . . 75.299999999999997 109.649 -178.424 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 . . . . . 0 CA--C 1.517 -0.29 0 CA-C-O 121.642 0.734 . . . . 71.230000000000004 110.482 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 78.1 m-85 -86.88 -172.81 4.17 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 107.799 -1.186 . . . . 70.129999999999995 107.799 168.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 89' ' ' TRP . 56.8 tp -63.14 -27.47 69.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.588 -0.278 . . . . 73.120000000000005 110.593 172.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.5 tp -54.61 -49.91 69.34 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.414 1.086 . . . . 61.409999999999997 112.514 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.18 -28.34 61.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.296 -0.411 . . . . 64.319999999999993 110.891 -178.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 31.2 mm-40 -74.66 -37.72 62.65 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 115.63 -0.714 . . . . 72.420000000000002 112.662 -177.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.441 HD13 HD22 ' A' ' 32' ' ' LEU . 3.5 pp -69.51 -26.69 64.66 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.616 0.599 . . . . 74.230000000000004 112.616 -176.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -75.38 -20.82 58.75 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.608 -0.724 . . . . 72.219999999999999 111.85 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 p -119.72 11.52 11.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.537 0.569 . . . . 73.230000000000004 112.537 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.99 141.21 47.7 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 122.208 -0.308 . . . . 72.209999999999994 111.45 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.37 -22.22 15.14 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.653 -0.703 . . . . 73.439999999999998 109.989 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.482 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 42.5 mmm -118.35 132.02 56.29 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 114.748 -1.114 . . . . 64.420000000000002 108.805 -176.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.6 mt -121.71 118.81 30.02 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.169 -0.678 . . . . 74.450000000000003 109.169 168.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 36.0 tt0 -98.76 140.03 33.57 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.009 -0.996 . . . . 74.540000000000006 108.678 179.259 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 22.6 mt -126.6 102.61 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 123.827 0.705 . . . . 73.129999999999995 109.696 173.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 63.01 28.38 16.21 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 114.306 -1.315 . . . . 74.040000000000006 113.043 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.11 -21.36 46.16 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 120.954 -0.641 . . . . 75.420000000000002 112.847 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 tt -87.81 118.93 27.66 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.78 -0.822 . . . . 63.039999999999999 108.78 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -77.5 123.26 26.35 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.539 -0.755 . . . . 65.310000000000002 111.729 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.72 118.0 21.89 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 108.934 -0.765 . . . . 73.099999999999994 108.934 171.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.7 p-90 -78.15 -17.87 56.31 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.038 -0.528 . . . . 71.109999999999999 111.671 -174.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -148.05 136.22 21.26 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.801 -0.636 . . . . 71.120000000000005 109.353 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -139.76 161.95 36.32 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.129 -0.941 . . . . 74.329999999999998 109.816 172.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -134.47 137.2 43.74 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.271 -0.64 . . . . 71.239999999999995 109.271 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.441 HD22 HD13 ' A' ' 14' ' ' LEU . 13.4 mt -105.46 139.09 40.61 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 108.106 -1.072 . . . . 75.349999999999994 108.106 178.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.566 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 51.1 t-20 -76.78 98.64 4.87 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.834 -0.802 . . . . 74.329999999999998 108.834 176.222 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -73.94 -37.57 64.53 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.16 0.913 . . . . 71.25 112.071 -168.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -62.55 -39.49 93.8 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.891 0.744 . . . . 74.439999999999998 111.267 177.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.0 tp -76.14 -29.4 57.78 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.949 -0.569 . . . . 61.140000000000001 111.634 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 61.0 mt -78.39 -21.27 49.58 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.047 0.388 . . . . 75.230000000000004 112.047 178.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.29 -38.78 78.48 Favored 'General case' 0 C--O 1.225 -0.193 0 O-C-N 123.651 0.594 . . . . 71.200000000000003 109.83 172.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -77.36 -27.49 52.63 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.947 0.779 . . . . 72.329999999999998 111.027 178.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.33 -39.55 85.83 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.54 0.525 . . . . 72.519999999999996 111.345 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.39 -29.41 47.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.343 -0.844 . . . . 64.129999999999995 110.756 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.18 -46.04 82.42 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.7 0.8 . . . . 64.319999999999993 110.001 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.73 -31.86 61.96 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 115.832 -0.622 . . . . 72.230000000000004 111.422 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.35 87.4 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.535 0.198 . . . . 53.109999999999999 111.535 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -71.38 -19.54 62.26 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.467 0.543 . . . . 73.420000000000002 112.467 174.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.32 -3.12 58.61 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 119.249 -0.405 . . . . 74.310000000000002 111.909 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.7 t70 68.17 23.47 7.91 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 125.405 1.482 . . . . 72.310000000000002 111.47 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -108.51 135.62 20.0 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.56 -0.745 . . . . 73.219999999999999 109.067 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -67.06 125.8 14.17 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.466 2.111 . . . . 63.409999999999997 112.32 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -92.05 120.63 32.86 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.696 0.76 . . . . 72.409999999999997 110.839 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.34 131.98 54.51 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.45 -1.25 . . . . 75.540000000000006 109.379 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.8 t -151.68 139.48 19.87 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.349 -0.982 . . . . 73.510000000000005 108.349 175.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -113.11 14.62 19.55 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.15 0.5 . . . . 64.129999999999995 110.233 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.4 177.64 8.65 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.592 -0.731 . . . . 65.329999999999998 109.37 173.304 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.4 p-90 -73.44 149.24 42.53 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 109.915 -0.402 . . . . 72.219999999999999 109.915 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.36 -20.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.023 0.439 . . . . 64.319999999999993 110.707 172.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -133.02 132.13 41.5 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.562 -0.29 . . . . 73.030000000000001 110.659 -176.835 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.81 99.62 5.61 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.798 -0.816 . . . . 24.129999999999999 108.798 170.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.451 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -103.24 108.62 24.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.497 -0.774 . . . . 62.210000000000001 109.999 -177.593 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -100.2 132.51 45.52 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 122.342 1.067 . . . . 65.129999999999995 109.77 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.2 m -131.78 122.03 25.14 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 114.235 -1.348 . . . . 75.129999999999995 109.852 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' A' ' 66' ' ' THR . 7.8 mp -108.35 103.52 12.69 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.211 -1.033 . . . . 75.219999999999999 108.211 173.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -102.85 98.31 8.32 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.998 -1.112 . . . . 74.430000000000007 107.998 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.23 -102.18 2.39 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.383 -1.087 . . . . 71.319999999999993 110.383 -168.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -139.54 45.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 72.310000000000002 110.686 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 10.7 t -107.19 126.47 52.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.429 0.633 . . . . 71.510000000000005 110.035 172.107 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -91.96 98.32 11.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.65 -0.705 . . . . 72.329999999999998 109.667 174.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -130.82 119.52 22.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.978 -0.555 . . . . 71.340000000000003 110.395 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -122.72 125.66 45.97 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.75 -0.659 . . . . 71.340000000000003 109.739 175.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.451 ' HB2' HG23 ' A' ' 59' ' ' VAL . 13.1 m-90 -95.62 125.06 39.95 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.48 -0.933 . . . . 73.450000000000003 108.48 174.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 73.1 mtp85 -110.15 112.0 23.71 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 109.039 -0.726 . . . . 74.030000000000001 109.039 176.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -101.5 140.64 35.51 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.489 -0.778 . . . . 75.25 109.052 -173.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.8 p -81.82 163.01 22.63 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.002 0.814 . . . . 73.120000000000005 110.917 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.409 ' O ' ' HG2' ' A' ' 78' ' ' MET . 72.0 t80 -63.93 -40.68 97.02 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.095 -0.957 . . . . 73.219999999999999 111.362 -178.596 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.72 -27.49 63.04 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.492 0.553 . . . . 72.430000000000007 112.492 -178.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.97 -27.81 63.02 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 123.724 0.64 . . . . 64.040000000000006 111.438 174.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 24.7 t -79.94 -27.51 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 123.918 0.887 . . . . 65.530000000000001 111.324 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 74' ' ' TYR . 95.2 mmm -79.1 -30.5 43.84 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 122.372 -0.205 . . . . 65.450000000000003 111.484 177.259 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -90.85 3.78 53.57 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 119.425 -0.321 . . . . 70.109999999999999 111.827 175.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.71 117.96 6.5 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 123.585 0.553 . . . . 74.340000000000003 110.758 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -85.68 129.09 56.15 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 114.524 -1.216 . . . . 63.210000000000001 110.697 -169.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -67.81 117.95 5.26 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 121.386 1.391 . . . . 75.040000000000006 111.969 176.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -85.88 179.19 7.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.446 -0.797 . . . . 72.200000000000003 109.597 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.94 -7.25 51.63 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.233 1.197 . . . . 64.099999999999994 114.233 -168.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -83.35 -22.01 32.97 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.484 0.183 . . . . 63.310000000000002 110.846 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.04 -15.52 21.24 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 116.213 -0.449 . . . . 74.239999999999995 113.578 -175.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -108.62 -26.74 10.22 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 109.408 -0.59 . . . . 64.310000000000002 109.408 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.1 m -84.4 140.73 31.34 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 114.704 -1.135 . . . . 63.329999999999998 110.968 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.461 ' CD1' HD13 ' A' ' 10' ' ' LEU . 66.0 m95 -126.39 142.3 51.58 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.014 -0.994 . . . . 71.340000000000003 108.766 177.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -88.76 111.45 22.02 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.742 -0.836 . . . . 74.530000000000001 108.742 174.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.26 101.29 12.91 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.332 -0.849 . . . . 74.450000000000003 108.754 176.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 p -83.57 125.72 32.08 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.196 -0.911 . . . . 62.130000000000003 110.321 178.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.8 p -130.55 -178.22 4.68 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.371 -0.832 . . . . 72.010000000000005 110.142 -176.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.39 -15.19 81.72 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.754 -0.538 . . . . 72.299999999999997 111.754 170.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -79.44 -32.64 42.8 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.324 0.65 . . . . 72.200000000000003 110.467 172.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 153.93 -110.7 0.46 Allowed Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.261 -0.495 . . . . 15.119999999999999 112.823 177.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -149.26 134.21 18.01 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.677 -0.861 . . . . 72.519999999999996 108.677 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -127.7 137.04 52.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.797 -0.446 . . . . 71.340000000000003 109.797 -176.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.491 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 18.8 tt0 -87.83 100.54 12.94 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.487 -0.56 . . . . 73.310000000000002 109.487 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 2.5 mt -95.05 108.99 21.09 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.809 -0.441 . . . . 64.129999999999995 109.809 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 101' ' ' ARG . 12.8 ttp180 -115.92 125.95 53.26 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-O 121.492 0.663 . . . . 72.209999999999994 110.466 -177.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 59.7 m -92.69 120.95 33.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.868 -1.06 . . . . 62.020000000000003 111.138 -175.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 19' ' ' MET . 3.3 mt . . . . . 0 N--CA 1.464 0.269 0 CA-C-N 115.724 -0.671 . . . . 74.450000000000003 109.514 -179.13 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.431 ' O ' ' HH2' ' A' ' 89' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.443 -0.79 0 N-CA-C 106.447 -1.686 . . . . 62.130000000000003 106.447 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -99.93 167.79 10.28 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 114.967 -1.015 . . . . 73.319999999999993 108.55 177.681 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.543 HD13 ' CD1' ' A' ' 89' ' ' TRP . 47.6 tp -65.97 -30.5 71.08 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 117.825 0.284 . . . . 73.129999999999995 110.305 174.205 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.5 tp -65.7 -31.76 72.94 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.663 -0.699 . . . . 73.019999999999996 111.5 175.573 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -82.31 -30.4 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.925 0.393 . . . . 61.25 110.205 177.834 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -71.47 -37.25 71.36 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.48 -0.782 . . . . 33.140000000000001 113.02 -178.345 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -70.98 -21.11 62.35 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 120.941 0.4 . . . . 61.299999999999997 111.945 -178.444 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -67.48 -21.82 65.5 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.546 -0.752 . . . . 75.310000000000002 112.526 173.812 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -127.34 20.85 6.73 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.85 0.46 . . . . 71.030000000000001 111.478 178.177 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.31 140.94 38.46 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 120.639 -0.424 . . . . 72.209999999999994 110.635 179.211 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -106.48 -45.23 4.3 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.461 -0.791 . . . . 73.409999999999997 109.549 177.762 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 28.2 ttp -111.79 130.08 55.92 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.404 -0.816 . . . . 71.439999999999998 109.526 175.796 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.1 tp -121.53 126.4 49.1 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.721 -0.844 . . . . 73.219999999999999 108.721 176.576 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.653 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 30.1 tt0 -98.29 152.45 19.41 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.427 -0.806 . . . . 62.420000000000002 109.797 -177.431 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.507 ' CG1' ' HB3' ' A' ' 98' ' ' TYR . 15.5 tt -134.35 107.64 9.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 CA-C-O 121.699 0.762 . . . . 54.420000000000002 110.969 175.252 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 54.96 42.9 30.68 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.537 1.535 . . . . 73.430000000000007 111.984 175.836 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.0 -17.98 58.29 Favored Glycine 0 C--N 1.343 0.945 0 O-C-N 121.816 -0.553 . . . . 62.530000000000001 113.771 178.604 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tt -102.34 115.15 29.97 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.684 -0.858 . . . . 72.319999999999993 108.684 -177.584 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 42.8 p-80 -75.38 131.18 40.04 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.444 -0.502 . . . . 70.519999999999996 110.205 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.02 146.01 35.6 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.295 -0.632 . . . . 75.349999999999994 109.295 173.116 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 -79.88 -22.77 42.44 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 109.533 -0.543 . . . . 75.340000000000003 109.533 179.365 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -156.37 144.78 19.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.839 -0.618 . . . . 73.129999999999995 110.165 -176.435 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -129.7 151.04 50.73 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.72 -0.474 . . . . 72.430000000000007 109.72 165.707 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -122.33 144.49 48.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.943 -0.571 . . . . 73.129999999999995 110.128 -176.818 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.7 mt -113.69 140.16 48.46 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.464 -0.789 . . . . 64.519999999999996 110.609 -177.784 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.439 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 49.1 t-20 -82.29 91.4 6.77 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 108.546 -0.909 . . . . 61.299999999999997 108.546 171.586 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.42 -23.11 56.95 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.799 -0.637 . . . . 74.430000000000007 112.446 -172.834 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -68.39 -39.97 81.5 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 122.979 0.512 . . . . 71.120000000000005 110.9 172.833 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.3 tp -79.15 -25.39 42.87 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.036 -0.529 . . . . 74.239999999999995 111.009 178.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 79.2 mt -81.28 -18.66 45.1 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.518 -0.31 . . . . 70.25 111.575 177.038 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.05 -42.0 76.87 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.625 -0.88 . . . . 75.549999999999997 108.625 170.404 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -75.89 -22.28 56.29 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.282 -0.872 . . . . 72.5 111.711 178.78 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.6 -40.98 76.32 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.37 -0.377 . . . . 61.43 111.06 174.108 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -74.2 -31.9 62.84 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.882 -0.599 . . . . 64.409999999999997 110.076 177.148 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.71 -48.18 81.93 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.393 1.077 . . . . 71.439999999999998 110.973 178.353 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.58 79.81 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 123.479 0.487 . . . . 75.530000000000001 111.011 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.92 -25.62 63.75 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 120.922 0.391 . . . . 54.219999999999999 111.857 178.887 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -77.57 -18.49 56.86 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.028 0.531 . . . . 71.099999999999994 111.44 171.852 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.85 14.11 31.48 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 122.472 0.309 . . . . 74.420000000000002 111.586 176.716 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.7 t70 76.54 -1.46 2.88 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.295 1.438 . . . . 74.400000000000006 112.119 176.339 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -93.66 144.59 28.45 Favored Pre-proline 0 C--N 1.315 -0.907 0 O-C-N 121.349 -0.844 . . . . 75.340000000000003 111.416 -173.245 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.33 126.56 9.84 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 121.786 1.658 . . . . 62.310000000000002 110.42 166.063 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -78.81 132.54 36.9 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.475 -0.49 . . . . 63.210000000000001 110.155 178.737 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -136.67 119.85 16.67 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.101 -0.954 . . . . 74.010000000000005 109.418 177.499 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.2 t -136.27 149.46 48.48 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.587 -0.733 . . . . 71.120000000000005 109.066 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -108.69 12.3 25.89 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.967 0.413 . . . . 72.25 110.896 176.542 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.82 163.23 23.6 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 108.571 -0.9 . . . . 63.399999999999999 108.571 171.228 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 5.4 p-90 -65.58 151.39 46.56 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.292 0.37 . . . . 63.399999999999999 110.497 -178.382 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 p -137.7 -22.6 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 120.444 -0.502 . . . . 64.120000000000005 111.428 173.063 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -137.36 122.13 18.71 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.822 -0.436 . . . . 74.430000000000007 109.822 -172.365 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.81 110.43 14.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.548 -0.751 . . . . 72.140000000000001 110.162 177.232 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -100.63 108.14 22.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.121 0.486 . . . . 53.219999999999999 110.857 -179.353 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.11 131.17 47.18 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.412 0.625 . . . . 71.310000000000002 109.761 177.319 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 m -118.99 159.42 23.88 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.566 -1.197 . . . . 74.230000000000004 109.564 178.058 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.0 mt -122.99 105.09 9.67 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.418 0.628 . . . . 74.420000000000002 110.045 172.78 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -102.55 94.68 5.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.09 -0.959 . . . . 72.200000000000003 109.025 177.104 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.14 -124.03 6.27 Favored Glycine 0 N--CA 1.44 -1.04 0 N-CA-C 108.963 -1.655 . . . . 61.0 108.963 -164.047 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -118.73 76.0 1.07 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 122.498 1.142 . . . . 74.510000000000005 108.115 165.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.7 m -142.62 108.79 5.23 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 113.284 -1.78 . . . . 71.340000000000003 109.116 -172.497 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -77.82 99.42 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.669 -0.696 . . . . 74.409999999999997 109.525 179.169 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -116.7 113.31 22.45 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.705 -0.68 . . . . 61.439999999999998 109.591 -172.599 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -125.48 134.75 51.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.285 0.564 . . . . 64.420000000000002 111.724 -171.686 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 17.9 m-90 -111.18 124.84 53.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.026 -0.988 . . . . 74.329999999999998 109.092 171.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -108.89 128.34 54.83 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.422 0.629 . . . . 71.140000000000001 110.775 178.415 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -117.55 139.75 50.54 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.638 -1.165 . . . . 62.109999999999999 109.628 -178.247 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.5 m -72.44 161.44 30.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.164 -0.925 . . . . 62.530000000000001 110.514 178.199 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -59.97 -39.04 84.26 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.451 0.7 . . . . 54.409999999999997 110.503 176.451 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -62.25 -42.79 99.64 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.781 0.676 . . . . 72.450000000000003 111.728 175.181 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.472 ' HB1' HD11 ' A' ' 91' ' ' LEU . . . -67.26 -36.57 81.86 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 123.774 0.671 . . . . 73.150000000000006 111.856 -179.287 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.1 -27.41 17.97 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 123.221 0.608 . . . . 64.420000000000002 112.086 178.212 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.29 -36.85 63.8 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.261 -0.274 . . . . 73.409999999999997 111.508 174.201 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -89.09 3.36 52.05 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 112.581 0.586 . . . . 43.439999999999998 112.581 -175.767 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.495 ' HB1' ' HB3' ' A' ' 89' ' ' TRP . . . -57.08 125.61 23.45 Favored 'General case' 0 CA--C 1.519 -0.221 0 O-C-N 123.931 0.769 . . . . 71.129999999999995 111.317 179.418 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -79.84 123.81 83.61 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.148 -0.933 . . . . 74.310000000000002 111.42 -171.001 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -67.92 122.63 9.76 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.07 1.847 . . . . 74.340000000000003 111.779 175.298 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -88.75 178.88 6.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.901 -0.591 . . . . 62.130000000000003 109.774 177.481 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.73 -16.05 61.19 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 111.932 0.345 . . . . 61.32 111.932 -179.161 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -73.65 -23.3 59.84 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.113 0.565 . . . . 63.219999999999999 111.428 176.353 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.29 -17.84 9.36 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 114.518 0.567 . . . . 75.219999999999999 114.518 174.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 3.8 mp0 -114.76 -10.12 12.45 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 117.098 0.449 . . . . 71.319999999999993 109.873 173.608 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.7 m -92.05 135.99 33.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.249 0.547 . . . . 51.219999999999999 110.401 178.465 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.543 ' CD1' HD13 ' A' ' 10' ' ' LEU . 70.6 m95 -128.27 125.21 38.41 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 115.284 -0.871 . . . . 73.010000000000005 110.39 -178.283 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -81.46 108.25 14.9 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.019 -0.734 . . . . 73.510000000000005 109.019 173.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.472 HD11 ' HB1' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -90.21 99.17 12.24 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 107.297 -1.372 . . . . 65.319999999999993 107.297 176.539 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.71 128.87 40.13 Favored 'General case' 0 N--CA 1.432 -1.332 0 CA-C-N 115.529 -0.76 . . . . 74.209999999999994 109.512 177.446 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.8 p -124.68 -172.91 2.67 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.605 -1.18 . . . . 74.239999999999995 109.615 -175.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -76.05 -16.27 80.8 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 116.104 -0.498 . . . . 71.530000000000001 111.882 170.376 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -88.28 -48.81 7.39 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.082 0.553 . . . . 72.239999999999995 110.835 179.155 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -178.42 -128.39 1.17 Allowed Glycine 0 C--N 1.341 0.85 0 C-N-CA 120.669 -0.777 . . . . 72.420000000000002 114.17 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -145.3 122.22 11.32 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.777 0.831 . . . . 74.409999999999997 110.196 -173.532 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.507 ' HB3' ' CG1' ' A' ' 22' ' ' ILE . 76.1 m-85 -131.33 115.01 15.7 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.773 -0.649 . . . . 74.049999999999997 109.714 -173.238 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -87.57 103.89 15.98 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 119.846 -0.742 . . . . 60.109999999999999 111.158 -173.157 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.653 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 78.2 mt -89.71 109.91 20.85 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 109.339 -0.615 . . . . 73.129999999999995 109.339 -177.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 30.3 ttp180 -110.24 116.2 31.06 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 121.357 0.599 . . . . 73.219999999999999 110.341 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.6 p -82.49 124.74 30.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.731 -1.122 . . . . 73.439999999999998 111.097 -176.156 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.7 mt . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 114.631 -1.168 . . . . 64.099999999999994 109.058 -176.096 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.3 mtm105 . . . . . 0 CA--C 1.489 -1.367 0 CA-C-O 122.578 1.18 . . . . 71.450000000000003 111.878 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -93.4 169.86 10.05 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-N 113.8 -1.545 . . . . 73.120000000000005 107.096 165.831 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.562 HD13 ' CD1' ' A' ' 89' ' ' TRP . 22.1 tp -65.2 -24.59 67.4 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 110.174 -0.306 . . . . 70.230000000000004 110.174 175.222 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.6 HD11 HD22 ' A' ' 37' ' ' LEU . 43.8 tp -66.05 -29.97 70.41 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.618 0.767 . . . . 73.019999999999996 112.495 176.127 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -80.62 -35.75 33.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.08 0.467 . . . . 63.329999999999998 110.329 176.542 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.54 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 24.6 mm-40 -74.42 -29.4 61.49 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.533 0.938 . . . . 71.120000000000005 113.533 -175.426 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -74.94 -21.63 59.07 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.395 0.517 . . . . 53.329999999999998 112.395 -179.032 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -70.84 -31.26 67.92 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.528 0.518 . . . . 71.109999999999999 111.438 177.436 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -104.15 2.68 32.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.625 0.602 . . . . 44.149999999999999 112.625 -178.477 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.49 130.45 35.05 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.765 0.317 . . . . 45.539999999999999 111.397 -178.449 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -92.15 -38.92 11.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.915 0.865 . . . . 74.420000000000002 109.426 175.2 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.3 ttp -128.64 140.56 51.7 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.216 -1.356 . . . . 72.540000000000006 109.427 178.541 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 20' ' ' LEU . 14.0 mt -116.08 129.85 56.54 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.469 0.652 . . . . 73.140000000000001 110.172 173.644 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -104.42 146.03 29.42 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.301 -1.318 . . . . 72.329999999999998 108.746 176.488 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.54 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.3 tt -135.87 114.3 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.12 0 CA-C-O 121.724 0.773 . . . . 60.020000000000003 110.235 172.13 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 t70 63.22 24.9 14.56 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 114.286 -1.324 . . . . 72.310000000000002 111.841 176.211 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.64 -17.96 55.8 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 121.231 -0.509 . . . . 35.009999999999998 113.376 -178.685 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 tp -93.53 126.53 38.74 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.81 -0.441 . . . . 75.409999999999997 109.81 179.121 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -87.38 123.84 32.75 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.064 -0.516 . . . . 70.239999999999995 110.659 -174.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.31 131.54 35.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.877 -0.601 . . . . 73.129999999999995 110.293 178.555 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.7 p-90 -78.1 -28.39 48.66 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.108 0.48 . . . . 71.430000000000007 110.718 -176.735 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -134.18 134.82 42.54 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 121.785 0.802 . . . . 75.140000000000001 109.031 -179.232 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 40.7 p90 -133.12 152.59 51.94 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 113.906 -1.497 . . . . 62.329999999999998 107.808 169.693 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -129.45 133.13 47.15 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 109.087 -0.709 . . . . 74.310000000000002 109.087 -178.184 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.6 mt -101.63 136.75 40.95 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 107.76 -1.2 . . . . 60.5 107.76 176.089 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.568 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.5 t-20 -78.27 90.99 4.36 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 108.519 -0.919 . . . . 74.25 108.519 177.063 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -66.57 -36.41 82.59 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.84 0.856 . . . . 65.439999999999998 112.064 -172.217 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.421 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 23.7 t-20 -55.34 -50.56 69.34 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 124.391 1.057 . . . . 64.019999999999996 111.386 173.383 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.6 tp -77.68 -24.84 49.22 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 115.854 -0.612 . . . . 71.25 111.7 -176.252 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.6 HD22 HD11 ' A' ' 11' ' ' LEU . 21.0 mt -83.32 -22.57 32.86 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.196 0.443 . . . . 53.43 112.196 179.464 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.48 -38.82 84.98 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.559 -0.904 . . . . 70.409999999999997 108.559 171.052 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 35' ' ' ASN . 85.4 mt-30 -74.59 -30.2 61.6 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 114.981 -1.009 . . . . 74.129999999999995 111.99 177.852 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.93 -41.92 67.27 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.444 0.465 . . . . 64.120000000000005 111.855 -178.702 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -71.4 -36.88 71.51 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.747 -0.66 . . . . 61.299999999999997 110.487 176.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.65 -36.89 85.31 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.259 1.024 . . . . 52.420000000000002 111.692 178.066 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.27 -44.25 53.64 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.912 -0.586 . . . . 74.409999999999997 111.018 177.587 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.44 -36.8 83.55 Favored 'General case' 0 C--O 1.224 -0.238 0 O-C-N 124.042 0.839 . . . . 74.0 112.244 -179.186 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.48 -14.86 61.31 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.519 0.563 . . . . 73.329999999999998 112.519 177.955 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.95 11.58 37.2 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.263 0.225 . . . . 73.120000000000005 111.412 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.0 t70 75.53 -4.08 2.45 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 126.064 1.746 . . . . 64.239999999999995 112.576 177.913 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -78.98 124.07 84.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 121.692 -0.63 . . . . 71.420000000000002 110.203 -176.254 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -70.51 122.78 9.24 Favored 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 121.875 1.716 . . . . 74.140000000000001 110.996 174.804 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -89.62 120.05 30.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.359 0.6 . . . . 71.299999999999997 110.963 -170.297 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.56 121.93 39.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.371 -0.831 . . . . 62.229999999999997 110.106 177.742 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 p -145.07 134.15 22.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.545 0.688 . . . . 43.140000000000001 110.567 174.625 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -94.04 18.14 11.18 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.039 -0.982 . . . . 65.299999999999997 111.86 177.703 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -84.73 172.0 11.87 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 108.521 -0.918 . . . . 74.239999999999995 108.521 172.535 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.1 p-90 -77.0 157.07 31.42 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 120.878 0.37 . . . . 75.219999999999999 110.355 -179.494 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.502 HG23 HD21 ' A' ' 37' ' ' LEU . 13.6 p -133.42 -28.21 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.084 0.469 . . . . 55.210000000000001 111.096 175.495 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.98 126.6 36.45 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.499 -0.556 . . . . 72.209999999999994 109.499 -172.723 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 30' ' ' PHE . . . -128.62 102.41 6.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.253 -0.43 . . . . 75.430000000000007 109.944 173.214 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.428 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -101.82 116.1 44.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.81 -0.811 . . . . 71.5 108.81 179.697 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -113.76 135.09 54.33 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.83 0.824 . . . . 71.140000000000001 110.146 176.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.8 t -133.73 129.84 37.27 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.014 -0.993 . . . . 72.319999999999993 110.176 -175.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' A' ' 66' ' ' THR . 65.2 mt -87.46 107.89 18.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.095 0.474 . . . . 71.25 110.598 179.369 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -115.45 98.05 6.51 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.471 -0.786 . . . . 74.439999999999998 109.199 -176.788 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.59 -90.49 1.44 Allowed Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 114.984 -1.007 . . . . 45.130000000000003 111.366 -173.006 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -141.87 30.99 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.698 0.399 . . . . 73.329999999999998 111.369 -179.016 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 7.4 t -140.03 146.24 38.77 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.317 -0.553 . . . . 74.099999999999994 112.074 -178.531 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.9 mtm105 -85.33 103.82 14.6 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 108.071 -1.085 . . . . 75.540000000000006 108.071 167.171 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -89.84 115.34 27.09 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 106.656 -1.609 . . . . 75.019999999999996 106.656 172.094 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -124.21 127.86 48.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.317 0.58 . . . . 64.519999999999996 111.461 -167.852 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.428 ' HB2' HG23 ' A' ' 59' ' ' VAL . 8.8 m-90 -114.1 124.09 51.25 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.504 -0.925 . . . . 75.519999999999996 108.504 177.486 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -119.0 129.7 55.29 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.276 0.56 . . . . 63.119999999999997 109.968 178.593 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -115.32 145.15 42.77 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.883 -1.053 . . . . 74.010000000000005 110.575 -175.359 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.6 m -76.93 160.82 28.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.229 0.955 . . . . 72.329999999999998 110.228 175.476 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -63.43 -43.89 96.13 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.758 -0.656 . . . . 62.32 112.054 -176.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -76.58 -20.02 57.26 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.409 0.443 . . . . 73.430000000000007 112.066 -177.742 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.17 -40.36 86.61 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.026 0.441 . . . . 53.409999999999997 111.036 168.888 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.2 t -69.31 -29.22 41.54 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 C-N-CA 123.644 0.778 . . . . 72.0 111.752 172.674 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 19.2 mmt -67.12 -40.42 86.83 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.906 0.336 . . . . 73.299999999999997 111.906 175.799 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -91.43 2.23 56.56 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.593 0.59 . . . . 73.400000000000006 112.593 -178.839 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 121.28 13.3 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.321 0.581 . . . . 63.350000000000001 111.049 179.623 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -85.19 129.39 55.99 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 114.634 -1.166 . . . . 71.209999999999994 111.783 -168.876 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -66.38 125.75 14.47 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 121.931 1.754 . . . . 64.310000000000002 112.193 174.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -85.38 178.82 7.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.349 -0.841 . . . . 73.299999999999997 110.82 -179.306 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.83 -20.44 62.56 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.72 -0.673 . . . . 62.240000000000002 111.642 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -72.42 -23.86 61.15 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.727 -0.669 . . . . 75.109999999999999 111.193 173.491 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.06 -16.19 17.56 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 114.894 0.717 . . . . 52.240000000000002 114.894 175.449 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 27.6 mt-10 -118.27 -13.11 9.87 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 117.342 0.571 . . . . 71.010000000000005 110.297 177.804 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.1 m -87.86 142.64 27.65 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.755 -0.657 . . . . 65.209999999999994 109.776 173.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.562 ' CD1' HD13 ' A' ' 10' ' ' LEU . 72.6 m95 -130.02 132.71 46.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.759 -0.655 . . . . 74.010000000000005 109.283 -178.174 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -86.38 105.57 16.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.434 -0.58 . . . . 74.340000000000003 109.434 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.44 100.75 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.158 -0.928 . . . . 70.349999999999994 108.778 174.693 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 t -90.26 121.33 32.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.03 0.919 . . . . 62.030000000000001 110.321 -179.714 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 73.1 p -122.11 -171.85 2.33 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.663 -1.153 . . . . 52.210000000000001 109.448 -178.087 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.82 -9.51 86.86 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 121.34 -0.457 . . . . 44.130000000000003 112.67 173.792 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -89.58 -50.31 6.16 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.697 -0.482 . . . . 72.120000000000005 109.697 176.801 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 173.03 -122.05 0.9 Allowed Glycine 0 C--N 1.335 0.523 0 CA-C-N 116.015 -0.539 . . . . 65.049999999999997 112.037 -177.272 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.2 123.0 15.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.354 0.597 . . . . 62.109999999999999 110.761 -175.164 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.439 ' HB3' HD11 ' A' ' 22' ' ' ILE . 88.8 m-85 -111.98 122.28 47.32 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.816 -1.083 . . . . 73.540000000000006 108.834 178.872 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.54 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 15.6 tt0 -88.73 101.71 14.27 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.588 -0.278 . . . . 70.129999999999995 110.745 -176.339 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.5 mt -91.49 110.42 21.73 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 109.409 -0.589 . . . . 71.420000000000002 109.409 178.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.457 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 24.2 ttp180 -112.77 127.72 56.23 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.326 0.584 . . . . 75.530000000000001 110.495 -179.705 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.54 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 67.3 m -83.72 118.26 23.78 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.668 -1.151 . . . . 64.329999999999998 110.684 179.111 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 114.316 -1.311 . . . . 74.049999999999997 110.158 -175.248 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.057 0 N-CA-C 111.894 -0.482 . . . . 64.230000000000004 111.894 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.8 m -139.47 88.64 2.27 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.585 -0.524 . . . . 62.439999999999998 109.585 174.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -86.44 -36.28 19.19 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 116.583 -0.28 . . . . 75.510000000000005 110.685 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 49.0 mtt -79.62 89.78 5.14 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-O 122.588 1.185 . . . . 71.349999999999994 110.826 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m -127.38 -37.51 2.02 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 112.304 -2.225 . . . . 71.109999999999999 108.468 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 t -98.32 -21.86 16.41 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 114.964 -1.016 . . . . 75.040000000000006 109.698 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -99.38 105.54 17.52 Favored 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 107.303 -1.369 . . . . 72.439999999999998 107.303 168.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -111.73 89.45 3.06 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 108.585 -0.894 . . . . 72.439999999999998 108.585 -172.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -92.96 -176.06 4.08 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 113.646 -1.615 . . . . 72.5 108.744 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.511 HD13 ' CD1' ' A' ' 89' ' ' TRP . 35.9 tp -63.88 -27.67 69.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.558 -0.292 . . . . 61.43 110.241 172.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.633 HD11 HD22 ' A' ' 37' ' ' LEU . 40.1 tp -61.23 -44.33 97.44 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 124.158 0.911 . . . . 71.510000000000005 112.119 174.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.95 -33.66 72.22 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.447 0.699 . . . . 71.109999999999999 111.526 177.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.97 -41.41 17.34 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.664 0.987 . . . . 73.319999999999993 113.664 -172.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.26 -21.53 63.89 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.177 0.806 . . . . 71.439999999999998 113.177 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.36 -42.0 96.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.133 0.573 . . . . 72.420000000000002 111.898 175.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 105' ' ' ALA . 17.7 p -96.86 -10.53 26.33 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.334 0.494 . . . . 74.439999999999998 112.334 -176.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.43 ' HB2' ' HB3' ' A' ' 102' ' ' CYS . . . -75.15 154.77 37.55 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 113.072 0.767 . . . . 64.140000000000001 113.072 -173.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -110.85 -48.3 3.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.983 -1.008 . . . . 54.219999999999999 109.643 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.2 ttp -110.91 151.69 27.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.109 -0.951 . . . . 51.130000000000003 109.323 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.6 tp -142.25 123.01 14.3 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 109.815 -0.439 . . . . 75.299999999999997 109.815 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.457 ' OE1' ' HD3' ' A' ' 101' ' ' ARG . 43.1 mt-10 -99.76 153.64 18.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.327 -0.249 . . . . 54.539999999999999 110.327 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.48 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.0 tt -137.09 108.12 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-O 121.975 0.893 . . . . 64.340000000000003 109.933 176.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.4 t0 62.91 24.95 14.83 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 125.055 1.342 . . . . 65.150000000000006 111.047 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.8 -11.35 60.88 Favored Glycine 0 CA--C 1.532 1.136 0 O-C-N 121.495 -0.753 . . . . 54.409999999999997 112.82 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 tt -93.66 112.42 24.29 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.785 -0.821 . . . . 74.549999999999997 108.785 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -75.43 134.12 40.97 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.917 0.389 . . . . 73.230000000000004 111.753 -177.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.78 141.55 30.64 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.913 -0.585 . . . . 43.25 110.184 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -90.41 -15.79 30.29 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.654 -0.703 . . . . 74.400000000000006 110.458 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -143.07 142.57 31.58 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.538 -0.755 . . . . 73.349999999999994 110.26 -175.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -153.93 146.78 24.37 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.47 -0.567 . . . . 74.209999999999994 109.47 166.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -126.73 151.63 47.91 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.961 -0.563 . . . . 71.129999999999995 110.252 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -122.51 146.72 47.14 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.385 -0.825 . . . . 65.430000000000007 111.084 -172.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.648 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.2 t-20 -84.66 85.78 7.39 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.675 -0.861 . . . . 53.329999999999998 108.675 173.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -74.46 -26.9 60.33 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.703 0.801 . . . . 72.209999999999994 111.456 -170.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -60.39 -43.2 96.87 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.933 1.293 . . . . 61.140000000000001 110.999 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.2 tp -77.62 -24.16 49.63 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.737 -0.665 . . . . 65.140000000000001 110.899 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 27.8 mt -83.43 -19.63 35.59 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 112.309 0.485 . . . . 74.530000000000001 112.309 -176.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.8 -47.27 78.68 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 123.768 0.668 . . . . 75.340000000000003 109.334 166.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -71.97 -30.41 65.25 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 124.065 0.853 . . . . 72.120000000000005 112.065 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.32 -49.06 68.27 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.449 -0.796 . . . . 43.409999999999997 111.144 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -72.2 -31.78 66.18 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 123.608 0.568 . . . . 75.329999999999998 111.077 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.19 -41.82 93.77 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.993 0.917 . . . . 74.319999999999993 111.389 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.23 -40.11 74.68 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.494 -0.775 . . . . 73.409999999999997 110.803 175.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.83 81.97 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 123.229 0.612 . . . . 72.430000000000007 111.973 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -69.74 -19.87 63.52 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.784 0.834 . . . . 70.019999999999996 111.818 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.1 5.28 52.21 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.167 -0.469 . . . . 72.010000000000005 111.303 173.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t70 67.31 25.52 8.75 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.116 1.766 . . . . 74.209999999999994 111.626 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -105.77 124.35 36.4 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.505 -0.554 . . . . 50.219999999999999 109.505 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -60.83 124.66 15.42 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.486 2.124 . . . . 64.129999999999995 112.397 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -99.45 133.12 44.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.746 -0.661 . . . . 72.319999999999993 109.467 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -144.53 122.89 12.32 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.749 -0.659 . . . . 33.210000000000001 109.819 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.0 t -140.11 139.37 35.81 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.05 -0.722 . . . . 74.230000000000004 109.05 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -92.77 15.4 14.68 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.417 0.525 . . . . 64.25 112.417 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -78.49 162.91 26.01 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.334 -0.988 . . . . 63.329999999999998 108.334 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 6.5 p-90 -69.01 154.41 42.11 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.092 0.472 . . . . 71.25 110.446 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.463 HG23 HD21 ' A' ' 37' ' ' LEU . 13.6 p -133.14 -26.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 120.951 0.405 . . . . 73.140000000000001 110.794 174.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.2 tp -144.71 117.81 8.89 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-O 121.237 0.541 . . . . 75.200000000000003 111.415 -168.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.26 112.68 24.79 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.398 -0.819 . . . . 62.140000000000001 108.977 171.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.9 t -100.25 116.42 43.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 114.874 -1.057 . . . . 73.319999999999993 109.17 -173.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -118.76 121.42 40.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.602 0.715 . . . . 72.450000000000003 112.024 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.1 t -117.0 152.28 34.96 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.223 -0.899 . . . . 62.240000000000002 108.798 168.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.3 mt -109.18 118.78 37.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.971 -0.751 . . . . 71.349999999999994 108.971 173.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -104.91 117.95 35.33 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.517 -1.29 . . . . 73.310000000000002 107.517 170.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.04 -110.46 3.33 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 109.311 -1.516 . . . . 74.340000000000003 109.311 -163.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 65' ' ' ARG . 28.0 mmt180 -134.36 19.95 3.67 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.263 0.468 . . . . 71.329999999999998 112.263 171.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 t -89.48 145.08 25.54 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 109.768 -0.456 . . . . 74.299999999999997 109.768 176.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -86.19 125.81 33.81 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.672 -0.492 . . . . 71.239999999999995 109.672 176.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 -119.69 114.63 22.48 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.801 -0.814 . . . . 72.340000000000003 108.801 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -126.07 122.35 35.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.087 0.47 . . . . 63.420000000000002 111.248 -168.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 22.2 m-90 -111.81 123.99 51.42 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.593 -0.891 . . . . 72.409999999999997 108.593 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -109.32 128.93 55.48 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 120.194 -0.602 . . . . 72.120000000000005 110.468 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -115.35 138.05 51.39 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 114.732 -1.122 . . . . 72.340000000000003 110.173 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.8 p -76.31 159.72 30.3 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 123.712 0.632 . . . . 43.439999999999998 110.027 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -62.85 -31.91 73.03 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.808 -0.633 . . . . 74.239999999999995 110.321 175.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -63.72 -46.6 84.67 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.254 -0.885 . . . . 75.430000000000007 110.796 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.17 93.86 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 123.904 0.753 . . . . 60.350000000000001 111.671 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.11 -29.08 45.64 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.173 0 C-N-CA 123.918 0.887 . . . . 61.219999999999999 112.797 176.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.1 mmt -77.28 -30.12 54.16 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 122.186 -0.321 . . . . 74.239999999999995 111.667 172.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -90.05 2.52 55.11 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.306 0.643 . . . . 73.049999999999997 111.762 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.85 123.67 26.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.585 -0.734 . . . . 74.219999999999999 110.89 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -86.08 130.36 50.44 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 114.825 -1.079 . . . . 72.230000000000004 111.969 -171.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -67.54 119.99 7.02 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.038 1.825 . . . . 73.120000000000005 111.851 173.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -90.28 172.98 8.39 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.837 -0.62 . . . . 74.340000000000003 110.383 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.37 -5.78 50.89 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.131 0.789 . . . . 72.5 113.131 -174.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -75.1 -23.62 57.98 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 122.713 0.405 . . . . 53.439999999999998 110.596 172.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.86 -16.05 44.19 Favored Glycine 0 C--N 1.34 0.752 0 CA-C-N 115.902 -0.59 . . . . 71.230000000000004 114.297 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.473 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 6.3 mp0 -118.38 -13.96 9.77 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 117.351 0.575 . . . . 73.030000000000001 110.67 176.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.3 m -91.93 141.69 28.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.212 0.529 . . . . 73.540000000000006 111.62 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.511 ' CD1' HD13 ' A' ' 10' ' ' LEU . 70.0 m95 -128.13 138.66 52.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.362 -0.835 . . . . 75.230000000000004 110.042 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -94.26 102.57 14.58 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.846 0.355 . . . . 73.010000000000005 110.342 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.437 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 4.5 mm? -91.85 98.38 11.56 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 115.715 -0.675 . . . . 71.510000000000005 109.272 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.0 p -97.03 98.11 9.79 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-O 121.873 0.844 . . . . 64.230000000000004 110.303 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.9 p -106.92 176.2 5.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.601 -1.181 . . . . 74.040000000000006 109.086 -175.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -79.36 -6.9 88.8 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 121.326 -0.464 . . . . 50.43 112.069 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -93.3 -35.48 13.05 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 122.354 0.262 . . . . 64.109999999999999 110.61 173.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.34 179.7 39.85 Favored Glycine 0 N--CA 1.444 -0.81 0 O-C-N 123.328 0.392 . . . . 73.430000000000007 112.78 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 91' ' ' LEU . . . -96.37 131.39 42.97 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 110.047 -0.353 . . . . 52.350000000000001 110.047 177.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.404 ' O ' ' HB2' ' A' ' 91' ' ' LEU . 93.9 m-85 -131.69 120.03 22.19 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.631 0.772 . . . . 75.200000000000003 110.021 -175.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.48 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 38.7 tt0 -87.05 101.6 13.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.181 -0.463 . . . . 71.430000000000007 110.616 -176.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.1 mt -93.21 111.9 23.68 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 120.868 0.366 . . . . 53.219999999999999 110.806 -177.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.473 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 32.4 ttt180 -116.29 108.46 16.12 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 115.891 -0.595 . . . . 74.129999999999995 110.134 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.43 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 12.8 m -83.69 124.43 30.84 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.296 0.569 . . . . 72.349999999999994 110.593 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.1 mt -120.33 145.46 47.09 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.986 -1.006 . . . . 63.229999999999997 110.835 -176.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 86.5 169.01 45.49 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.659 -0.781 . . . . 60.25 113.63 173.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 16' ' ' THR . . . -146.78 77.4 1.46 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.52 0.676 . . . . 63.32 110.725 -175.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.8 t -122.75 -12.71 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 115.744 -0.662 . . . . 64.349999999999994 110.152 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.6 m 61.69 97.84 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.501 1.521 . . . . 43.119999999999997 112.557 -174.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.82 -14.94 58.32 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.964 -0.562 . . . . 71.450000000000003 112.018 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.7 m -67.9 143.05 55.87 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 122.841 0.456 . . . . 52.340000000000003 111.247 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 115.08 49.43 0.5 Allowed Glycine 0 CA--C 1.508 -0.351 0 CA-C-N 116.082 -0.508 . . . . 62.240000000000002 111.853 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -108.52 -71.48 0.76 Allowed 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 119.206 -0.426 . . . . 73.409999999999997 111.262 -176.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -162.0 -72.77 0.05 Allowed 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.07 0.396 . . . . 64.230000000000004 112.07 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 . . . . . 0 C--O 1.245 0.833 0 CA-C-N 116.298 -0.41 . . . . 74.209999999999994 111.706 -169.432 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 112.162 -0.375 . . . . 73.030000000000001 112.162 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -92.82 -166.22 1.49 Allowed 'General case' 0 C--O 1.241 0.657 0 C-N-CA 122.833 0.453 . . . . 74.409999999999997 110.21 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 73.87 12.59 4.34 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.609 1.164 . . . . 64.109999999999999 112.083 173.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 69.5 mtm -81.53 110.48 16.96 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.584 -0.697 . . . . 74.540000000000006 109.225 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.45 ' HB ' ' OE1' ' A' ' 7' ' ' GLN . 15.2 p -71.69 -39.7 70.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.367 -0.833 . . . . 73.530000000000001 111.415 -174.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.6 t 45.61 49.76 10.88 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.05 1.74 . . . . 70.5 113.43 166.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.45 ' OE1' ' HB ' ' A' ' 5' ' ' THR . 2.1 mp0 -61.42 103.82 0.35 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 114.91 -1.041 . . . . 73.310000000000002 112.447 178.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -111.16 76.98 1.0 Allowed 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.413 -0.958 . . . . 75.099999999999994 108.413 168.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -100.41 167.51 10.34 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.773 -1.195 . . . . 75.019999999999996 107.773 170.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.493 HD13 ' CD1' ' A' ' 89' ' ' TRP . 48.9 tp -62.33 -30.95 71.53 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 123.13 0.268 . . . . 64.010000000000005 110.892 178.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 67.5 mt -58.89 -49.73 76.68 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 123.82 0.7 . . . . 71.519999999999996 111.899 172.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -64.19 -34.17 77.48 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.044 0.45 . . . . 75.140000000000001 111.068 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -69.17 -42.91 75.25 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.434 -0.803 . . . . 62.310000000000002 111.895 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.468 HD22 HD23 ' A' ' 57' ' ' LEU . 3.4 pp -75.19 -21.95 58.34 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 112.69 0.626 . . . . 75.120000000000005 112.69 -177.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 107' ' ' SER . 22.9 mm-40 -61.39 -37.34 83.09 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.321 0.648 . . . . 64.430000000000007 111.794 173.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 107' ' ' SER . 20.3 p -119.04 23.15 11.54 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 111.965 0.358 . . . . 75.0 111.965 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.2 130.9 34.8 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.642 -0.503 . . . . 71.400000000000006 109.642 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -94.54 -52.26 4.39 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.667 -0.864 . . . . 71.239999999999995 108.667 172.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.0 ttp -114.78 130.01 56.78 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.55 -1.205 . . . . 74.099999999999994 109.381 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.5 tp -122.6 128.89 51.27 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.387 0.613 . . . . 65.040000000000006 109.662 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.491 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 5.3 tt0 -109.65 152.49 25.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.883 -1.053 . . . . 75.209999999999994 110.437 -174.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.677 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 7.2 tt -137.24 112.88 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.202 0 CA-C-O 121.818 0.818 . . . . 74.329999999999998 110.869 173.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.34 26.86 16.06 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.684 1.194 . . . . 71.430000000000007 113.439 176.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.29 -20.64 47.81 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 120.927 -0.654 . . . . 33.109999999999999 112.907 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 tt -97.75 112.03 24.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.703 -0.851 . . . . 73.140000000000001 108.703 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 9.9 p80 -85.06 144.24 28.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.429 -0.508 . . . . 73.439999999999998 111.895 -173.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.2 157.09 18.39 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.786 -0.643 . . . . 64.109999999999999 109.706 173.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 10.6 p-90 -96.39 -17.77 20.39 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.01 -0.367 . . . . 70.230000000000004 110.01 176.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -153.36 140.8 19.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.215 0.606 . . . . 74.040000000000006 109.957 -174.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.457 ' O ' ' HA3' ' A' ' 110' ' ' GLY . 49.8 p90 -140.19 153.41 46.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.109 -0.496 . . . . 71.109999999999999 110.407 172.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -124.38 143.95 50.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.05 0.452 . . . . 43.240000000000002 111.359 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.464 HD22 HD13 ' A' ' 14' ' ' LEU . 49.0 mt -113.48 147.77 37.24 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.599 -1.182 . . . . 74.319999999999993 108.941 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -82.53 97.72 8.59 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.604 -0.887 . . . . 71.239999999999995 108.604 174.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -72.32 -34.48 68.12 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.207 -0.906 . . . . 72.409999999999997 111.914 -171.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -65.05 -39.58 93.49 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.586 0.754 . . . . 70.120000000000005 111.05 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.2 tp -78.84 -32.03 45.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 72.109999999999999 111.466 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.1 -21.92 56.13 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.991 -0.55 . . . . 72.349999999999994 111.821 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.47 -41.25 89.3 Favored 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.322 0.388 . . . . 73.319999999999993 110.005 171.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -75.45 -26.91 58.66 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.687 -0.688 . . . . 70.010000000000005 111.472 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.96 81.8 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.285 0.634 . . . . 74.430000000000007 111.202 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -78.65 -32.3 47.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.703 -0.681 . . . . 73.109999999999999 110.643 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.13 -46.65 88.93 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.939 0.896 . . . . 73.329999999999998 110.286 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.71 -37.71 85.26 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.373 -0.831 . . . . 71.5 111.029 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.79 74.61 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.053 0.39 . . . . 71.349999999999994 112.053 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -79.57 -11.74 59.87 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.28 -0.418 . . . . 73.329999999999998 111.805 175.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.8 8.89 35.02 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.046 0.539 . . . . 73.030000000000001 111.529 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.8 t70 64.91 30.33 12.04 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 125.044 1.338 . . . . 65.209999999999994 111.562 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -117.54 124.33 29.03 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.957 -0.565 . . . . 61.149999999999999 109.771 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.26 125.78 14.02 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.632 2.221 . . . . 73.420000000000002 111.618 172.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -95.39 136.62 35.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.352 -0.386 . . . . 73.430000000000007 110.336 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -148.28 137.23 21.8 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.559 -0.746 . . . . 63.229999999999997 109.795 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.8 p -146.87 150.65 35.66 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 123.737 0.648 . . . . 65.120000000000005 110.34 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -99.58 15.43 26.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.23 -0.441 . . . . 71.030000000000001 110.79 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -82.64 165.43 20.03 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 107.975 -1.12 . . . . 71.420000000000002 107.975 171.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -69.91 150.81 46.36 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 123.333 0.396 . . . . 71.540000000000006 110.302 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.0 p -135.42 -13.71 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.941 0.4 . . . . 55.140000000000001 111.042 171.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.468 HD23 HD22 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -135.38 126.18 27.39 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.987 -0.375 . . . . 71.25 109.987 -173.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.1 105.81 7.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.537 0.523 . . . . 73.230000000000004 109.644 171.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.465 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -101.43 115.27 42.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 110.034 -0.358 . . . . 72.340000000000003 110.034 -179.153 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.427 ' OE2' ' HD2' ' A' ' 67' ' ' ARG . 29.2 tt0 -103.8 121.15 42.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.624 -0.716 . . . . 74.510000000000005 109.785 176.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.7 t -126.86 129.07 47.52 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 114.995 -1.002 . . . . 65.430000000000007 109.013 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.4 mt -79.41 103.79 9.57 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.021 -0.733 . . . . 71.120000000000005 109.021 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -105.06 97.84 7.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.17 -1.377 . . . . 62.240000000000002 108.499 -176.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.09 -103.77 2.17 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 110.098 -1.201 . . . . 64.420000000000002 110.098 -169.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -133.23 23.41 4.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.917 0.865 . . . . 75.409999999999997 109.241 171.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -107.78 139.0 43.02 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 113.873 -1.512 . . . . 72.140000000000001 110.481 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.427 ' HD2' ' OE2' ' A' ' 60' ' ' GLU . 45.6 mtm105 -86.85 99.29 11.72 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.633 -0.877 . . . . 73.420000000000002 108.633 169.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -87.46 116.26 25.44 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.459 -0.941 . . . . 75.209999999999994 108.459 -178.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -117.02 129.7 56.19 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.375 -0.83 . . . . 74.450000000000003 110.405 -171.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.465 ' HB2' HG23 ' A' ' 59' ' ' VAL . 17.5 m-90 -119.34 125.35 48.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.397 -0.594 . . . . 74.019999999999996 109.397 170.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.461 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 55.3 mtt180 -116.55 118.79 33.6 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.694 0.759 . . . . 71.409999999999997 111.043 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -105.77 144.2 32.85 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.217 -1.356 . . . . 75.0 109.685 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.3 p -75.86 163.18 27.47 Favored 'General case' 0 N--CA 1.443 -0.78 0 O-C-N 123.909 0.755 . . . . 73.209999999999994 109.962 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -63.41 -36.74 84.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.473 -0.785 . . . . 73.549999999999997 110.219 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.528 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 1.9 m-20 -58.51 -47.69 83.3 Favored 'General case' 0 C--O 1.221 -0.414 0 O-C-N 123.934 0.771 . . . . 72.349999999999994 111.885 174.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.09 97.88 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.631 0.582 . . . . 60.439999999999998 112.175 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.85 -26.06 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 123.82 0.848 . . . . 64.239999999999995 112.663 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -78.93 -36.56 41.55 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 122.095 -0.378 . . . . 70.310000000000002 111.629 175.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 75' ' ' ASN . 12.0 mm-40 -77.73 -16.13 58.64 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.904 0.482 . . . . 64.430000000000007 111.375 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.91 117.26 1.99 Allowed 'General case' 0 N--CA 1.471 0.61 0 O-C-N 124.425 1.078 . . . . 53.210000000000001 113.066 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -84.03 126.72 69.41 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 114.384 -1.28 . . . . 74.209999999999994 111.153 -170.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -67.1 122.38 9.68 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 121.966 1.777 . . . . 74.400000000000006 111.616 174.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -81.46 176.17 9.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.075 -0.511 . . . . 74.230000000000004 110.245 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.77 -16.23 63.6 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.851 1.056 . . . . 71.109999999999999 113.851 -171.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -89.09 -20.52 24.21 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.663 0.385 . . . . 73.409999999999997 111.863 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.01 -12.36 64.32 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 114.176 0.43 . . . . 53.530000000000001 114.176 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -109.79 -23.29 11.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 117.295 0.547 . . . . 73.310000000000002 111.665 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.5 m -92.64 145.41 24.45 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.664 -0.495 . . . . 72.120000000000005 109.664 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.493 ' CD1' HD13 ' A' ' 10' ' ' LEU . 77.8 m95 -130.22 124.89 33.56 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.608 -0.724 . . . . 72.510000000000005 110.194 -176.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.1 ttt-85 -81.32 108.41 14.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.116 -0.698 . . . . 62.240000000000002 109.116 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 3.5 mm? -89.62 99.36 12.38 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 108.571 -0.899 . . . . 74.519999999999996 108.571 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 t -83.85 116.01 22.54 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-O 121.568 0.699 . . . . 61.100000000000001 109.145 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 59.3 p -118.6 -174.45 2.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.318 -0.855 . . . . 52.149999999999999 109.482 -177.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.34 -15.08 78.99 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.89 -0.484 . . . . 71.400000000000006 111.89 174.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -98.03 -50.31 4.44 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 122.391 0.277 . . . . 71.310000000000002 111.577 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 179.37 -160.88 26.55 Favored Glycine 0 C--O 1.224 -0.507 0 C-N-CA 121.43 -0.414 . . . . 73.209999999999994 112.564 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 91' ' ' LEU . . . -102.46 135.5 43.98 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 122.678 0.391 . . . . 73.209999999999994 110.801 -176.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.563 ' HB3' HD11 ' A' ' 22' ' ' ILE . 89.0 m-85 -130.99 118.86 21.24 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.215 -0.448 . . . . 65.120000000000005 110.945 -178.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.677 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 25.7 tt0 -84.4 101.71 12.21 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 116.251 -0.431 . . . . 74.200000000000003 111.289 -174.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 28.9 mt -92.43 110.56 21.97 Favored 'General case' 0 C--O 1.212 -0.88 0 N-CA-C 109.215 -0.661 . . . . 71.0 109.215 176.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -110.17 113.64 26.49 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.187 0.518 . . . . 75.319999999999993 109.969 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 75.6 m -83.73 122.16 28.27 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.829 -1.078 . . . . 73.420000000000002 110.878 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.1 mt -122.3 150.07 42.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.929 -1.032 . . . . 75.400000000000006 109.63 -175.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 83.68 169.54 45.23 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.92 -0.657 . . . . 64.120000000000005 113.779 176.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.85 78.37 1.67 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.313 0.578 . . . . 74.310000000000002 110.845 -176.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.0 t -145.45 128.7 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 N-CA-C 104.647 -2.353 . . . . 74.230000000000004 104.647 173.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 71.3 m -57.15 96.57 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 113.855 1.057 . . . . 72.530000000000001 113.855 178.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 54.21 103.37 0.01 OUTLIER 'General case' 0 C--N 1.359 0.981 0 O-C-N 125.732 1.895 . . . . 75.200000000000003 113.614 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.0 m -109.72 100.24 9.28 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.743 0.783 . . . . 74.040000000000006 110.74 176.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 30' ' ' PHE . . . -157.08 -97.9 0.14 Allowed Glycine 0 N--CA 1.441 -0.97 0 CA-C-N 114.991 -1.004 . . . . 62.450000000000003 113.112 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 74.2 122.31 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.054 1.742 . . . . 52.100000000000001 112.055 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 73.53 118.82 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 126.151 1.78 . . . . 74.310000000000002 112.167 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 C--O 1.236 0.347 0 CA-C-N 115.511 -0.768 . . . . 73.5 110.117 -178.532 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 112.477 -0.249 . . . . 74.239999999999995 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 p -143.11 111.99 6.5 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 109.152 -0.684 . . . . 71.109999999999999 109.152 173.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -66.59 -31.72 72.6 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 123.842 0.714 . . . . 65.450000000000003 111.493 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 66.5 mtt -70.77 117.39 12.22 Favored 'General case' 0 CA--C 1.512 -0.483 0 O-C-N 123.949 0.781 . . . . 75.409999999999997 109.634 172.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -82.58 -36.01 26.6 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 113.977 -1.465 . . . . 72.329999999999998 110.221 -173.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 t -102.2 95.92 6.64 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 122.113 0.958 . . . . 73.049999999999997 109.986 168.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -80.24 108.85 14.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.419 -0.81 . . . . 61.210000000000001 109.894 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -124.2 76.95 1.51 Allowed 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 108.236 -1.024 . . . . 61.420000000000002 108.236 171.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.497 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 90.7 m-85 -98.16 174.3 6.59 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 107.396 -1.335 . . . . 72.010000000000005 107.396 171.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.532 HD13 ' CD1' ' A' ' 89' ' ' TRP . 57.6 tp -65.31 -22.26 66.81 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 117.883 0.31 . . . . 72.150000000000006 110.851 174.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.2 tp -64.35 -41.3 96.82 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.453 0.701 . . . . 45.299999999999997 112.176 173.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -76.72 -27.05 55.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.239 0.542 . . . . 53.340000000000003 110.57 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 56.1 mm-40 -77.1 -33.29 56.99 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 115.395 -0.82 . . . . 64.209999999999994 112.654 -177.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.411 HD13 HD22 ' A' ' 32' ' ' LEU . 3.4 pp -74.31 -23.52 59.09 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.038 0.381 . . . . 65.299999999999997 111.762 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -70.71 -29.93 66.34 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.711 -0.677 . . . . 62.350000000000001 111.546 173.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.5 p -113.98 21.14 15.13 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.247 0.462 . . . . 74.129999999999995 112.247 -177.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.17 139.98 37.95 Favored 'General case' 0 CA--C 1.514 -0.434 0 O-C-N 122.281 -0.262 . . . . 53.240000000000002 110.303 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -103.35 -51.9 3.13 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.666 -0.864 . . . . 73.420000000000002 108.666 171.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.5 ttp -105.18 130.28 53.38 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.422 -0.955 . . . . 52.219999999999999 108.422 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.6 tp -122.54 120.25 33.26 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.803 -0.814 . . . . 61.240000000000002 108.803 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 28.8 tt0 -95.54 140.36 30.49 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.466 -0.788 . . . . 65.239999999999995 108.933 -175.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.508 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 14.6 tt -131.22 111.83 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-O 122.04 0.924 . . . . 61.020000000000003 111.647 174.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t70 62.8 21.9 13.07 Favored 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 124.771 1.228 . . . . 61.140000000000001 111.469 175.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.35 7.64 51.44 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 116.246 -0.434 . . . . 73.319999999999993 113.639 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.1 mt -113.45 108.19 16.86 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 117.198 0.499 . . . . 61.329999999999998 110.415 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -80.14 116.16 20.1 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.19 0.519 . . . . 75.099999999999994 110.688 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.59 135.76 37.34 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.426 -0.806 . . . . 50.310000000000002 111.279 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.9 p-90 -82.44 -21.14 35.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.379 -0.828 . . . . 73.109999999999999 109.607 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -149.32 135.65 19.21 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.874 -1.057 . . . . 71.099999999999994 108.411 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -129.61 150.76 50.79 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.598 -0.728 . . . . 41.420000000000002 109.099 171.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -112.39 143.12 44.05 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 114.885 -1.052 . . . . 71.299999999999997 109.894 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.411 HD22 HD13 ' A' ' 14' ' ' LEU . 71.5 mt -121.15 145.95 47.28 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.693 -0.685 . . . . 65.430000000000007 109.541 177.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -88.85 87.7 7.33 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.77 -1.196 . . . . 73.140000000000001 107.77 173.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -74.17 -20.13 60.32 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.435 -0.802 . . . . 75.319999999999993 112.674 -174.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -69.36 -43.6 73.28 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.799 0.839 . . . . 73.219999999999999 110.137 172.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.5 tp -77.9 -26.7 49.28 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.255 -0.884 . . . . 73.0 111.131 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -82.45 -19.13 39.55 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.284 -0.416 . . . . 73.540000000000006 111.811 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -71.02 -37.36 72.61 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.736 -0.839 . . . . 73.129999999999995 108.736 170.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -79.26 -24.31 43.07 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.059 -0.973 . . . . 73.430000000000007 111.576 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.28 -39.15 68.57 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.066 0.46 . . . . 62.210000000000001 111.09 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.19 -35.59 69.01 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 115.204 -0.907 . . . . 72.129999999999995 110.397 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 tt -59.84 -29.84 68.54 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.236 1.415 . . . . 71.120000000000005 112.021 173.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.14 -39.93 14.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.714 -0.221 . . . . 72.120000000000005 110.434 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.93 -33.21 75.29 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 122.815 0.446 . . . . 74.140000000000001 111.742 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.89 -22.93 52.68 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.732 -0.667 . . . . 54.509999999999998 110.532 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.54 10.39 30.51 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.064 0.546 . . . . 63.399999999999999 111.683 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 t70 72.14 16.14 5.32 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.243 1.017 . . . . 73.420000000000002 111.473 174.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -110.71 150.47 41.81 Favored Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 123.442 0.697 . . . . 55.439999999999998 110.851 -175.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -77.78 134.88 13.83 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 122.387 2.058 . . . . 65.420000000000002 111.718 170.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -95.85 134.07 39.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.523 -0.547 . . . . 73.409999999999997 109.523 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -140.86 122.09 14.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.873 -0.603 . . . . 61.399999999999999 110.072 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 74' ' ' TYR . 22.7 t -142.59 145.82 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 65.310000000000002 109.779 177.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -101.38 9.18 41.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.611 -0.268 . . . . 71.219999999999999 111.219 175.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -79.44 159.09 27.17 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.383 -0.969 . . . . 64.219999999999999 108.383 172.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.6 p-90 -62.35 151.58 36.34 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 123.867 0.729 . . . . 74.400000000000006 110.816 -177.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.9 p -136.48 -16.39 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 120.995 0.426 . . . . 64.549999999999997 110.811 172.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 1.8 tm? -137.87 125.16 21.75 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.614 -0.513 . . . . 71.010000000000005 109.614 -171.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 70' ' ' TRP . . . -136.11 105.84 6.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.938 0.399 . . . . 44.140000000000001 111.326 174.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -100.49 124.69 54.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.947 0 CA-C-N 116.611 -0.268 . . . . 73.239999999999995 110.569 -176.233 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -108.39 118.55 37.07 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.561 -0.455 . . . . 71.230000000000004 111.149 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.1 m -122.54 136.96 55.02 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.41 -0.813 . . . . 71.420000000000002 109.59 174.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.527 ' HA ' ' O ' ' A' ' 66' ' ' THR . 9.7 mp -93.97 106.74 18.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.961 -0.563 . . . . 65.540000000000006 111.14 177.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' A' ' 66' ' ' THR . 25.0 t70 -94.3 95.88 9.2 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.335 -0.987 . . . . 70.150000000000006 108.335 168.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.57 -118.62 4.77 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 109.803 -1.319 . . . . 73.219999999999999 109.803 -166.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.0 mmt-85 -116.98 16.2 15.1 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.827 0.823 . . . . 75.409999999999997 109.465 168.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.527 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 54.0 m -76.93 100.26 5.52 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.31 -1.314 . . . . 65.010000000000005 109.671 171.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.539 ' H ' ' HD2' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -93.66 97.31 10.38 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 122.138 0.971 . . . . 73.200000000000003 109.009 178.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -110.26 132.01 54.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.741 -0.663 . . . . 54.329999999999998 109.831 -174.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.567 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -111.97 134.94 53.21 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.666 0.746 . . . . 71.420000000000002 110.474 175.262 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.451 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 22.9 m-90 -103.78 122.14 44.47 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.328 -0.99 . . . . 73.329999999999998 108.328 176.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.454 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 62.0 mtm180 -113.92 114.92 26.87 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.347 0.594 . . . . 73.420000000000002 110.855 -172.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -110.61 143.24 41.33 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.405 -0.816 . . . . 53.329999999999998 110.863 -176.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.0 m -70.92 160.27 33.16 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 124.377 1.048 . . . . 74.310000000000002 111.137 176.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.405 ' HB3' ' O ' ' A' ' 52' ' ' SER . 65.2 t80 -61.7 -40.12 93.89 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.479 -0.782 . . . . 75.140000000000001 110.707 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.448 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 3.0 m-20 -58.23 -42.76 87.02 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.106 0.879 . . . . 61.5 112.289 174.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.452 ' HB1' HD11 ' A' ' 91' ' ' LEU . . . -67.92 -33.0 73.85 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 124.234 0.959 . . . . 75.019999999999996 112.715 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 24.1 t -78.84 -24.5 13.09 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 122.878 0.471 . . . . 71.150000000000006 111.385 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.17 -37.47 53.71 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 122.305 -0.247 . . . . 73.25 111.354 174.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 75' ' ' ASN . 11.4 pt-20 -88.76 10.14 21.99 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.665 0.617 . . . . 42.450000000000003 112.665 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.35 124.33 19.66 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 123.733 0.645 . . . . 54.229999999999997 110.741 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.46 123.09 85.73 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.0 -1.0 . . . . 71.019999999999996 111.404 -170.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -69.85 122.85 9.49 Favored 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 122.292 1.995 . . . . 55.219999999999999 111.778 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -90.37 170.29 10.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.888 -0.596 . . . . 65.209999999999994 110.607 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.22 -5.19 53.75 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.313 -0.858 . . . . 43.149999999999999 111.179 173.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -72.49 -24.26 61.15 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.615 -0.72 . . . . 55.299999999999997 111.172 173.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.93 -14.94 29.44 Favored Glycine 0 C--N 1.342 0.881 0 N-CA-C 115.447 0.939 . . . . 73.209999999999994 115.447 175.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -127.02 -37.79 2.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.168 0.484 . . . . 74.329999999999998 110.472 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.6 m -74.17 134.13 42.78 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.042 -0.527 . . . . 65.519999999999996 110.791 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.532 ' CD1' HD13 ' A' ' 10' ' ' LEU . 63.4 m95 -115.96 147.32 41.29 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 107.65 -1.241 . . . . 74.129999999999995 107.65 172.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -103.27 114.02 27.97 Favored 'General case' 0 N--CA 1.432 -1.331 0 C-N-CA 119.668 -0.813 . . . . 75.010000000000005 110.377 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.452 HD11 ' HB1' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -88.99 99.76 12.67 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 107.269 -1.382 . . . . 75.030000000000001 107.269 -179.089 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.1 t -85.65 130.88 34.46 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.109 -0.951 . . . . 52.32 109.353 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.7 p -134.89 -177.23 4.53 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.578 -0.737 . . . . 63.200000000000003 110.078 -175.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -79.67 -13.05 82.94 Favored Glycine 0 C--N 1.334 0.452 0 N-CA-C 111.634 -0.586 . . . . 61.310000000000002 111.634 170.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -81.77 -46.4 14.28 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.252 -0.648 . . . . 70.099999999999994 109.252 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.75 -110.25 0.36 Allowed Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.921 -0.581 . . . . 63.340000000000003 111.83 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -155.63 131.93 10.21 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 123.506 0.722 . . . . 73.209999999999994 110.256 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -118.66 125.09 48.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.999 -1.001 . . . . 62.530000000000001 108.45 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 42.2 tt0 -84.31 100.4 11.22 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.235 -0.586 . . . . 71.409999999999997 110.549 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.499 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 20.8 mt -93.7 107.96 19.76 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.038 -0.356 . . . . 74.239999999999995 110.038 176.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -112.63 120.48 41.72 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 121.517 0.675 . . . . 75.329999999999998 110.063 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.64 116.39 22.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.542 -1.208 . . . . 72.510000000000005 111.409 -177.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 79.6 mt -123.33 163.18 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.85 -1.068 . . . . 62.420000000000002 110.796 -174.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.01 -48.49 1.0 Allowed Glycine 0 N--CA 1.446 -0.691 0 CA-C-O 119.532 -0.593 . . . . 63.420000000000002 113.71 172.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 64.95 30.92 11.71 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.652 1.181 . . . . 72.400000000000006 112.52 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.7 t -122.46 121.33 63.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 N-CA-C 106.575 -1.639 . . . . 63.409999999999997 106.575 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.5 m -55.28 112.0 0.99 Allowed 'General case' 0 C--N 1.314 -0.976 0 O-C-N 124.688 1.242 . . . . 72.019999999999996 112.612 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -130.25 142.12 50.58 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.011 -0.54 . . . . 54.030000000000001 111.108 -177.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.6 m -116.77 138.04 51.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.124 -0.944 . . . . 64.099999999999994 110.015 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -109.54 95.52 0.89 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.863 -0.684 . . . . 60.439999999999998 112.162 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -74.18 106.84 6.02 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 122.726 0.41 . . . . 60.299999999999997 111.101 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.3 130.16 35.17 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.437 0.637 . . . . 74.349999999999994 111.374 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 C--O 1.242 0.674 0 CA-C-O 118.115 -0.945 . . . . 73.439999999999998 110.237 -178.363 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 112.5 -0.24 . . . . 53.420000000000002 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 m -127.0 128.06 45.78 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 110.106 -0.331 . . . . 71.519999999999996 110.106 172.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -88.4 -25.53 22.63 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.286 -0.635 . . . . 74.25 109.286 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 67.9 mtt -66.64 132.15 47.53 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.693 -0.484 . . . . 72.510000000000005 109.693 175.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 p -58.25 -55.7 31.58 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 124.445 1.09 . . . . 73.230000000000004 110.644 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.25 13.2 t 41.8 54.65 3.84 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.373 1.869 . . . . 64.25 114.588 173.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -83.22 81.13 8.83 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 122.136 0.97 . . . . 73.120000000000005 108.879 169.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -113.27 60.4 0.65 Allowed 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 114.657 -1.156 . . . . 72.450000000000003 108.48 -173.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.46 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 32.8 m-85 -73.63 169.98 16.17 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.26 -1.336 . . . . 73.430000000000007 107.513 172.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.426 HD13 ' CD1' ' A' ' 89' ' ' TRP . 56.3 tp -58.11 -26.74 63.0 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.501 0.556 . . . . 60.140000000000001 112.501 -177.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.402 HD11 ' CD2' ' A' ' 37' ' ' LEU . 21.3 tp -62.4 -47.67 83.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.646 0.592 . . . . 60.149999999999999 112.247 174.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.05 -30.81 70.99 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.608 0.363 . . . . 74.349999999999994 110.924 176.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 18.2 mm-40 -73.02 -37.63 66.87 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 112.873 0.694 . . . . 75.450000000000003 112.873 -176.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.502 HD13 HD22 ' A' ' 32' ' ' LEU . 2.8 pp -75.71 -21.76 57.24 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.361 0.504 . . . . 73.209999999999994 112.361 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -79.44 -29.24 41.74 Favored 'General case' 0 C--N 1.332 -0.166 0 O-C-N 123.418 0.449 . . . . 75.150000000000006 111.397 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 p -101.12 9.67 41.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 74.150000000000006 111.556 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.94 139.03 31.9 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.065 0.46 . . . . 41.340000000000003 111.105 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.516 ' HB3' ' O ' ' A' ' 106' ' ' VAL . 10.9 m-20 -93.77 -31.37 14.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.93 -1.032 . . . . 50.109999999999999 109.281 173.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.5 ttp -135.21 138.74 43.91 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 114.191 -1.368 . . . . 61.439999999999998 108.674 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.3 tp -131.84 116.05 16.72 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.116 -0.633 . . . . 72.329999999999998 110.467 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -99.5 146.07 26.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.209 -0.905 . . . . 64.140000000000001 109.573 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.457 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.8 tt -136.42 112.02 11.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-O 121.738 0.78 . . . . 73.129999999999995 111.805 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 65.04 21.39 12.25 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.116 1.366 . . . . 72.239999999999995 111.622 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.08 -23.5 35.46 Favored Glycine 0 C--N 1.346 1.117 0 CA-C-N 116.156 -0.474 . . . . 74.219999999999999 112.654 -174.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 tt -81.65 127.1 32.54 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.427 -0.953 . . . . 71.329999999999998 108.427 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -88.51 124.69 34.25 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.36 -0.382 . . . . 53.240000000000002 110.921 -174.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.421 ' HA ' ' OG ' ' A' ' 61' ' ' SER . . . -77.31 129.49 35.93 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.722 -0.672 . . . . 63.340000000000003 109.681 174.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.1 p-90 -72.52 -27.99 62.58 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 109.525 -0.546 . . . . 54.240000000000002 109.525 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.2 ptt85 -152.62 169.16 23.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.6 -0.727 . . . . 54.450000000000003 109.741 173.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -141.66 159.96 41.15 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.116 -0.698 . . . . 74.430000000000007 109.116 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -138.02 139.19 39.5 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 109.136 -0.69 . . . . 64.420000000000002 109.136 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.502 HD22 HD13 ' A' ' 14' ' ' LEU . 88.9 mt -120.43 143.46 48.46 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.449 -0.341 . . . . 63.219999999999999 110.989 -174.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.543 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 33.4 t-20 -86.9 90.51 8.35 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.033 -0.729 . . . . 71.219999999999999 109.033 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -74.38 -25.99 59.83 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.779 0.832 . . . . 74.109999999999999 111.875 -175.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -61.99 -45.99 91.2 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.085 0.866 . . . . 74.540000000000006 110.948 171.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.5 tp -75.82 -24.74 55.89 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.277 -0.42 . . . . 52.240000000000002 111.308 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 47.1 mt -78.36 -25.21 46.25 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.259 0.466 . . . . 71.129999999999995 112.259 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.51 -43.9 88.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.706 0.629 . . . . 71.140000000000001 110.231 170.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -74.08 -31.48 62.85 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.709 0.631 . . . . 71.540000000000006 111.341 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.99 -43.72 78.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.019 -0.991 . . . . 71.040000000000006 111.569 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -73.07 -33.01 65.38 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 124.037 0.836 . . . . 61.219999999999999 110.586 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.6 tt -57.31 -46.48 83.15 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.819 1.247 . . . . 71.010000000000005 110.979 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.43 -39.32 59.05 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.835 -0.621 . . . . 34.329999999999998 111.166 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.35 -28.83 67.48 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.935 0.717 . . . . 65.219999999999999 112.935 -177.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -77.7 -15.71 58.97 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 122.803 0.441 . . . . 71.239999999999995 111.336 174.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.11 6.27 49.2 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.271 -0.422 . . . . 71.450000000000003 111.252 174.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 t70 72.78 4.71 5.05 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 125.939 1.695 . . . . 74.349999999999994 111.771 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -88.99 125.89 60.94 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.376 -0.602 . . . . 71.109999999999999 109.376 -176.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -66.39 124.22 12.2 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 121.868 1.712 . . . . 62.329999999999998 112.227 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -96.21 133.02 41.04 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.74 -0.837 . . . . 72.420000000000002 108.74 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.07 117.89 8.17 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.226 -0.657 . . . . 70.329999999999998 109.226 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.2 p -138.5 142.79 39.36 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.782 -0.451 . . . . 73.530000000000001 109.782 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -95.05 13.49 24.97 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.841 -0.344 . . . . 63.420000000000002 111.927 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.17 153.66 31.85 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.161 -1.051 . . . . 63.200000000000003 108.161 170.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 8.4 p-90 -60.85 150.28 33.41 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.262 0.977 . . . . 63.329999999999998 111.074 -177.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.0 p -131.34 -23.73 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.905 0.383 . . . . 63.140000000000001 110.716 174.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.8 tp -142.34 122.29 13.63 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.061 0.458 . . . . 73.340000000000003 110.998 -173.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.82 107.48 14.18 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.337 -0.847 . . . . 63.439999999999998 109.454 172.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -99.35 108.55 22.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.155 -0.683 . . . . 63.299999999999997 109.155 -179.145 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -100.71 128.33 46.8 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.495 -0.775 . . . . 72.140000000000001 109.736 -172.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 27' ' ' ALA . 22.2 m -127.45 131.23 50.25 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.163 -0.926 . . . . 74.030000000000001 109.74 176.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.1 mt -96.62 106.35 18.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.532 -0.914 . . . . 74.329999999999998 108.532 172.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.424 ' O ' HG22 ' A' ' 66' ' ' THR . 30.4 t70 -104.64 97.69 7.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.815 -0.63 . . . . 62.210000000000001 109.629 -174.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.83 -96.71 1.08 Allowed Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.088 -0.96 . . . . 53.409999999999997 110.705 -170.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -136.26 21.32 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.74 0.416 . . . . 72.140000000000001 110.849 174.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 63' ' ' ASP . 6.7 t -104.45 141.74 35.82 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.235 0.541 . . . . 70.430000000000007 110.108 174.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -97.93 108.36 21.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.986 -0.746 . . . . 71.040000000000006 108.986 175.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -123.49 114.34 19.96 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-O 121.572 0.701 . . . . 71.530000000000001 110.146 177.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.75 137.32 52.28 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.764 -1.107 . . . . 70.200000000000003 109.432 175.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.402 ' HB2' HG23 ' A' ' 59' ' ' VAL . 21.4 m-90 -103.2 122.03 43.89 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.407 -0.96 . . . . 74.439999999999998 108.407 176.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -107.34 109.91 21.78 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.284 -0.871 . . . . 73.319999999999993 108.985 -177.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -103.95 139.79 38.62 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 115.198 -0.91 . . . . 74.409999999999997 109.604 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.457 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 37.3 p -76.02 163.23 27.35 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 124.327 1.017 . . . . 74.150000000000006 110.58 177.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -62.29 -33.25 74.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.9 -1.046 . . . . 73.120000000000005 110.116 173.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -66.98 -37.66 84.64 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 124.682 1.193 . . . . 53.25 111.524 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.44 -38.18 74.48 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.662 0.601 . . . . 61.520000000000003 111.986 177.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.3 t -71.76 -27.04 26.81 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 CA-C-N 115.583 -0.735 . . . . 61.100000000000001 111.476 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.33 -46.14 74.34 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 122.586 0.354 . . . . 63.299999999999997 111.83 174.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -90.37 6.98 40.88 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.604 0.594 . . . . 75.140000000000001 112.604 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.93 121.1 14.78 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.859 0.464 . . . . 74.310000000000002 111.169 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -78.94 128.74 75.54 Favored Pre-proline 0 N--CA 1.463 0.218 0 CA-C-N 115.308 -0.86 . . . . 64.25 112.244 -169.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -71.91 113.31 3.63 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.611 2.207 . . . . 52.340000000000003 112.003 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -74.52 159.09 32.68 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.271 -0.422 . . . . 71.120000000000005 110.359 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.2 -5.09 33.3 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.82 -0.627 . . . . 73.409999999999997 111.709 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -73.16 -24.78 60.61 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.399 1.08 . . . . 53.43 111.159 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.5 -14.34 35.91 Favored Glycine 0 C--N 1.343 0.929 0 N-CA-C 115.02 0.768 . . . . 42.340000000000003 115.02 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 23.3 mt-10 -116.83 -26.52 6.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.943 0.871 . . . . 64.109999999999999 110.487 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.4 m -95.58 146.02 24.78 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.336 -0.847 . . . . 62.25 111.75 -170.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.426 ' CD1' HD13 ' A' ' 10' ' ' LEU . 73.4 m95 -133.91 147.18 51.08 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.094 -0.957 . . . . 74.319999999999993 110.138 -177.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -96.57 112.24 24.06 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 116.624 -0.262 . . . . 73.310000000000002 111.545 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.26 97.42 9.14 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.01 -1.108 . . . . 64.450000000000003 108.01 168.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.24 97.78 8.25 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 122.684 1.231 . . . . 74.530000000000001 109.148 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.5 p -118.26 176.89 5.02 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.931 -1.486 . . . . 55.210000000000001 109.879 -172.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.89 -16.3 80.12 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.759 -0.537 . . . . 72.230000000000004 111.759 173.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -71.82 -43.0 66.35 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.473 0.709 . . . . 60.439999999999998 109.216 169.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.14 -174.41 34.71 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.876 -0.602 . . . . 30.039999999999999 112.019 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.25 122.72 38.23 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 123.072 0.549 . . . . 64.239999999999995 110.563 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.423 ' HB3' HD11 ' A' ' 22' ' ' ILE . 85.1 m-85 -130.39 131.29 45.22 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.627 -0.715 . . . . 74.239999999999995 110.554 -173.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 40.5 tt0 -95.3 102.77 14.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.361 -0.381 . . . . 74.340000000000003 110.862 -177.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.2 mt -91.59 123.25 34.85 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-O 121.255 0.55 . . . . 75.450000000000003 110.511 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 66.6 ttt180 -125.39 118.69 26.44 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.597 -0.729 . . . . 75.219999999999999 110.043 -176.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 2.0 p -83.04 124.35 30.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.398 -1.274 . . . . 43.32 111.105 -177.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.7 mt -127.61 149.9 49.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.639 -0.71 . . . . 75.099999999999994 109.966 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.75 76.73 0.39 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.539 -0.838 . . . . 65.140000000000001 113.676 -175.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -155.62 19.5 0.4 Allowed 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.844 0.683 . . . . 45.210000000000001 112.844 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.516 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 76.0 t -128.29 97.71 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.816 0.817 . . . . 73.530000000000001 110.457 -175.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.8 t -138.65 14.05 2.73 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.435 -0.802 . . . . 74.230000000000004 110.781 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 59.56 29.37 18.93 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.94 1.296 . . . . 62.25 113.302 175.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.2 t -59.47 126.59 28.24 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.012 0.82 . . . . 72.420000000000002 112.107 -171.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 128.25 -55.42 0.76 Allowed Glycine 0 C--O 1.224 -0.53 0 N-CA-C 108.558 -1.817 . . . . 72.450000000000003 108.558 -166.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -92.51 -39.37 11.42 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 107.95 -1.13 . . . . 54.329999999999998 107.95 166.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.3 t70 75.76 -96.21 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 126.721 2.008 . . . . 71.329999999999998 112.141 168.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.47 0.539 0 CA-C-N 118.807 0.73 . . . . 72.430000000000007 111.5 177.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.36 0 N-CA-C 112.074 -0.411 . . . . 65.310000000000002 112.074 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 t -89.62 127.63 35.93 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.13 0.491 . . . . 71.299999999999997 110.288 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -90.88 -3.68 57.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.887 -0.597 . . . . 74.439999999999998 110.194 172.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 61.0 mtm -84.97 101.53 12.44 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.738 0.78 . . . . 74.239999999999995 109.986 172.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.427 ' HB ' ' OE1' ' A' ' 111' ' ' GLU . 1.4 m -90.74 -22.62 20.99 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.329 -1.305 . . . . 72.439999999999998 108.895 176.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.7 m -90.72 41.06 1.04 Allowed 'General case' 0 CA--C 1.553 1.096 0 CA-C-O 122.812 1.291 . . . . 74.150000000000006 108.559 166.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -74.86 -23.01 58.35 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.304 -0.862 . . . . 65.019999999999996 109.001 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.427 ' O ' ' HH2' ' A' ' 89' ' ' TRP . 30.9 mmm-85 58.46 95.94 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.394 1.878 . . . . 74.019999999999996 112.116 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -93.4 -175.6 3.86 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 112.642 -2.072 . . . . 72.239999999999995 107.537 172.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.426 HD21 HD13 ' A' ' 100' ' ' LEU . 52.2 tp -79.38 -11.93 59.92 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 119.974 -0.69 . . . . 72.150000000000006 109.685 168.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.1 tp -68.64 -46.36 69.41 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 122.817 0.447 . . . . 63.009999999999998 111.226 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.13 -20.05 45.85 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 121.233 -0.187 . . . . 70.430000000000007 111.179 176.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -83.56 -19.17 36.09 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 113.777 1.029 . . . . 44.450000000000003 113.777 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.75 -24.85 41.27 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.627 0.649 . . . . 53.399999999999999 109.876 169.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -71.53 -40.11 70.31 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 115.309 -0.859 . . . . 70.209999999999994 111.764 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.452 ' HA ' ' OG ' ' A' ' 107' ' ' SER . 44.7 p -83.89 -17.76 39.7 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 112.188 0.44 . . . . 74.230000000000004 112.188 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 119.05 7.44 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 113.269 0.841 . . . . 73.0 113.269 -174.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -86.08 -35.51 20.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.484 -0.932 . . . . 75.349999999999994 108.484 170.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.471 ' HB3' ' HB2' ' A' ' 103' ' ' LEU . 7.3 ttm -135.49 150.47 49.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.775 -1.102 . . . . 62.420000000000002 108.132 174.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.5 mt -123.72 127.08 47.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.111 0.481 . . . . 63.119999999999997 110.492 175.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 32.3 tt0 -112.03 149.02 32.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.288 -0.869 . . . . 63.130000000000003 110.587 -175.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.565 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 2.4 tt -137.49 118.45 17.3 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 CA-C-O 121.84 0.829 . . . . 72.329999999999998 111.085 175.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 62.86 26.48 15.59 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.26 1.424 . . . . 64.439999999999998 112.864 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.67 8.55 65.45 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 121.539 -0.362 . . . . 73.329999999999998 112.849 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 tt -125.83 110.69 13.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.082 -1.081 . . . . 73.120000000000005 108.082 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 4.1 p-80 -89.3 140.22 29.71 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.772 1.027 . . . . 72.019999999999996 113.772 -174.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.89 146.82 29.62 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 113.713 -1.585 . . . . 55.409999999999997 110.741 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 47.3 p-90 -84.45 -26.1 28.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.789 -0.641 . . . . 73.549999999999997 110.454 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -142.08 136.41 30.11 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.964 -0.562 . . . . 64.25 109.571 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -134.76 158.76 43.33 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.023 -0.99 . . . . 70.239999999999995 109.787 171.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -129.33 145.91 51.3 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.621 0.576 . . . . 53.310000000000002 109.765 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.0 mt -115.76 143.63 45.12 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.158 -1.053 . . . . 75.349999999999994 108.158 176.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.548 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 45.9 t-20 -85.73 92.07 8.49 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.617 -0.883 . . . . 74.5 108.617 176.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -72.58 -26.28 61.65 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.874 0.734 . . . . 73.329999999999998 112.054 -176.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -66.6 -39.27 88.31 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 123.996 0.81 . . . . 65.549999999999997 110.84 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.5 tp -81.32 -25.49 36.4 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.963 -0.562 . . . . 72.540000000000006 111.011 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 81.3 mt -78.31 -23.62 47.0 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.304 0.377 . . . . 74.310000000000002 111.655 176.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 27.4 t70 -65.18 -41.96 94.08 Favored 'General case' 0 C--O 1.223 -0.296 0 O-C-N 124.218 0.949 . . . . 63.25 110.002 171.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -79.12 -28.08 42.9 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 124.201 0.938 . . . . 71.239999999999995 111.4 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.83 -36.96 70.37 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.49 0.494 . . . . 61.340000000000003 111.014 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -79.95 -31.05 39.96 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.341 -0.845 . . . . 64.239999999999995 110.197 178.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 38' ' ' ASP . 3.6 tt -61.9 -42.7 99.39 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.968 0.907 . . . . 72.140000000000001 109.854 173.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.65 81.27 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 115.25 -0.886 . . . . 31.02 111.482 176.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.32 83.72 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 111.962 0.356 . . . . 72.010000000000005 111.962 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.68 -27.33 63.94 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.902 0.481 . . . . 74.129999999999995 111.921 175.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.33 5.52 51.28 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.815 0.446 . . . . 62.520000000000003 112.026 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 t70 61.44 35.14 17.83 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 122.783 1.277 . . . . 54.240000000000002 111.126 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -106.32 136.73 19.32 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.106 -0.952 . . . . 73.540000000000006 109.569 177.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -72.8 124.61 9.84 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.14 1.893 . . . . 65.049999999999997 111.148 171.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -105.49 114.44 28.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 75.049999999999997 110.75 -174.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -128.57 118.61 23.29 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.795 -0.639 . . . . 54.240000000000002 109.972 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 p -134.89 146.04 48.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.099 0.476 . . . . 71.340000000000003 111.222 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -98.18 10.44 40.55 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.48 -0.782 . . . . 64.450000000000003 111.543 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -79.29 166.54 22.02 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.676 -0.861 . . . . 52.43 108.676 174.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.1 p-90 -70.52 152.31 44.13 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 109.964 -0.384 . . . . 61.140000000000001 109.964 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.71 -20.88 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-O 121.128 0.49 . . . . 61.340000000000003 111.086 170.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.47 125.12 28.29 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.173 -0.677 . . . . 75.109999999999999 109.173 -173.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.48 108.4 9.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.823 0.344 . . . . 64.25 110.896 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.413 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.4 OUTLIER -106.45 131.33 56.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.258 -0.645 . . . . 41.329999999999998 109.258 177.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -132.05 132.6 43.51 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.6 0.714 . . . . 71.519999999999996 110.534 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.3 t -132.4 157.11 45.37 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.387 -0.824 . . . . 72.219999999999999 111.009 -174.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.0 mt -103.68 108.85 20.32 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.618 -0.719 . . . . 72.219999999999999 110.302 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -110.81 100.43 9.17 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.965 0.888 . . . . 75.209999999999994 110.137 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.97 -99.49 2.23 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.398 -0.819 . . . . 44.350000000000001 111.332 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -128.88 10.05 5.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.904 0.859 . . . . 72.519999999999996 109.471 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -100.31 139.05 36.54 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.66 -1.155 . . . . 73.150000000000006 110.732 -173.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -108.53 103.51 12.64 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.804 -0.634 . . . . 73.299999999999997 109.323 174.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.4 ttm105 -109.4 125.56 52.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.995 -0.548 . . . . 72.099999999999994 110.772 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -116.5 134.58 54.69 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.68 -0.691 . . . . 55.310000000000002 111.046 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.413 ' HB2' HG23 ' A' ' 59' ' ' VAL . 16.5 m-90 -111.35 124.25 51.86 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.716 -1.129 . . . . 74.439999999999998 108.545 173.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -117.34 122.92 45.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.434 0.635 . . . . 65.219999999999999 110.401 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -114.97 141.8 47.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.871 -1.058 . . . . 73.019999999999996 110.688 -174.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 55.7 m -76.8 165.58 24.51 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 124.401 1.063 . . . . 61.020000000000003 110.676 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -68.06 -34.15 75.9 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.875 -0.602 . . . . 74.010000000000005 111.012 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -60.57 -39.68 88.9 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 124.007 0.817 . . . . 74.409999999999997 111.784 173.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.8 -31.57 69.55 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.741 0.651 . . . . 74.439999999999998 112.022 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.6 t -82.69 -23.81 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-O 121.02 0.438 . . . . 75.430000000000007 111.28 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 24.1 mmt -75.82 -36.6 59.62 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.461 -0.336 . . . . 73.120000000000005 110.955 174.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -85.62 2.88 43.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 123.613 0.57 . . . . 73.019999999999996 112.238 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.03 114.16 2.7 Favored 'General case' 0 C--O 1.242 0.693 0 O-C-N 123.803 0.689 . . . . 74.430000000000007 111.023 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 90' ' ' ARG . 37.2 mt-10 -87.11 131.99 42.97 Favored Pre-proline 0 CA--C 1.512 -0.515 0 CA-C-N 114.956 -1.02 . . . . 63.350000000000001 110.5 -172.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -64.5 134.7 42.53 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.227 1.951 . . . . 53.25 111.472 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -101.36 160.88 14.04 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 108.446 -0.946 . . . . 73.319999999999993 108.446 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.73 -5.76 45.09 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.026 0.441 . . . . 74.530000000000001 111.504 176.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -73.75 -24.69 59.92 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.89 0.876 . . . . 73.409999999999997 110.95 172.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.39 -14.31 23.51 Favored Glycine 0 C--N 1.344 1.021 0 N-CA-C 115.137 0.815 . . . . 72.310000000000002 115.137 175.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -116.83 -40.11 3.19 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 117.436 0.618 . . . . 75.150000000000006 110.365 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.5 m -80.57 147.04 30.95 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.892 -0.594 . . . . 24.32 111.325 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.427 ' HH2' ' O ' ' A' ' 8' ' ' ARG . 83.9 m95 -130.66 144.15 51.23 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.513 -0.767 . . . . 74.530000000000001 109.238 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.419 ' HB3' ' HB2' ' A' ' 81' ' ' GLU . 32.3 ttt180 -88.07 97.23 10.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.48 0.657 . . . . 73.329999999999998 109.865 177.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.8 99.38 12.43 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.555 -1.202 . . . . 73.239999999999995 108.426 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 p -92.8 130.34 38.44 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.324 0.583 . . . . 62.310000000000002 110.356 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.2 p -129.52 -178.51 4.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.916 -1.038 . . . . 72.030000000000001 110.716 -176.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.49 -5.46 89.84 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 115.7 -0.682 . . . . 73.209999999999994 111.672 169.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -92.76 -13.29 29.46 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.291 0.636 . . . . 74.310000000000002 110.675 175.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 137.21 -112.09 0.9 Allowed Glycine 0 C--N 1.34 0.757 0 N-CA-C 111.23 -0.748 . . . . 73.519999999999996 111.23 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -157.67 147.04 19.91 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.872 0.469 . . . . 32.149999999999999 109.857 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -133.22 147.81 52.0 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.328 -0.99 . . . . 75.219999999999999 108.328 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.565 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 13.2 tt0 -94.38 100.09 12.18 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.415 -0.587 . . . . 64.230000000000004 109.415 176.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.426 HD13 HD21 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -93.57 109.95 21.56 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.782 -0.822 . . . . 74.25 108.782 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -110.27 120.7 43.29 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.691 -0.686 . . . . 74.329999999999998 109.34 -175.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 3.8 p -82.78 120.31 25.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.364 0.602 . . . . 73.140000000000001 110.563 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 20.7 mt -107.47 141.31 39.08 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.208 -0.905 . . . . 74.239999999999995 111.126 -174.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 93.92 -74.77 1.1 Allowed Glycine 0 N--CA 1.438 -1.197 0 CA-C-N 114.968 -1.014 . . . . 64.120000000000005 112.886 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 59.37 32.23 21.68 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.821 1.248 . . . . 72.040000000000006 111.843 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.1 t -97.61 87.86 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 121.973 0.892 . . . . 71.099999999999994 109.755 -176.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.452 ' OG ' ' HA ' ' A' ' 16' ' ' THR . 5.1 p -176.66 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 112.834 -1.985 . . . . 54.219999999999999 107.33 175.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.4 15.36 9.88 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 125.709 1.604 . . . . 72.019999999999996 114.235 165.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.0 m -106.39 85.49 2.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.57 0.7 . . . . 72.420000000000002 111.353 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -113.62 -51.61 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 114.992 -1.003 . . . . 70.340000000000003 111.39 172.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.427 ' OE1' ' HB ' ' A' ' 5' ' ' THR . 19.6 tt0 -107.58 33.35 4.09 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 121.926 0.87 . . . . 74.120000000000005 108.768 172.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -89.44 99.72 12.66 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 121.301 -0.874 . . . . 64.0 108.781 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 . . . . . 0 C--O 1.241 0.617 0 CA-C-N 114.494 -1.23 . . . . 72.230000000000004 110.924 -172.592 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.247 0 N-CA-C 112.061 -0.415 . . . . 73.109999999999999 112.061 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 p -82.79 -29.1 29.83 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 123.027 0.531 . . . . 64.5 111.937 -176.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -88.57 86.94 7.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.729 0.776 . . . . 62.32 110.276 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.5 ttt -149.74 142.83 24.97 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 114.088 -1.415 . . . . 73.030000000000001 107.454 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.8 p -80.11 -80.98 0.13 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 118.656 -0.688 . . . . 71.400000000000006 109.202 172.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.4 t 38.51 33.48 0.07 Allowed 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 126.439 1.895 . . . . 70.319999999999993 114.415 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -91.92 -4.28 54.9 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 121.451 -0.78 . . . . 74.120000000000005 111.269 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.3 mtm105 62.43 71.78 0.52 Allowed 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 124.808 1.317 . . . . 74.129999999999995 109.86 -168.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.445 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 72.3 m-85 -74.07 168.54 19.33 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.057 -1.09 . . . . 72.349999999999994 108.057 168.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.504 HD13 ' CD1' ' A' ' 89' ' ' TRP . 56.6 tp -62.42 -25.97 68.24 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 118.142 0.428 . . . . 75.400000000000006 111.271 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.0 -49.51 75.77 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.609 -0.723 . . . . 74.519999999999996 111.163 171.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -63.8 -33.64 76.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.627 0.771 . . . . 73.299999999999997 111.338 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 15.9 mm-40 -66.28 -45.83 79.1 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 114.762 -1.108 . . . . 74.340000000000003 112.379 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.589 HD13 HD22 ' A' ' 32' ' ' LEU . 2.7 pp -74.53 -22.02 59.24 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.98 0.733 . . . . 73.150000000000006 112.98 -174.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.84 -21.87 59.03 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.542 0.526 . . . . 71.129999999999995 112.247 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.0 p -117.06 17.21 14.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.787 0.327 . . . . 52.049999999999997 111.558 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.62 155.75 19.04 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.263 0.554 . . . . 34.109999999999999 112.031 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -123.12 -46.91 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.164 -0.925 . . . . 53.229999999999997 108.916 174.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.566 ' HG3' ' HB2' ' A' ' 103' ' ' LEU . 4.3 ptm -121.15 129.9 53.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.199 -0.91 . . . . 74.209999999999994 110.103 179.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.03 152.53 35.34 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.48 -0.488 . . . . 63.0 110.195 -178.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -129.05 148.51 51.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 75.450000000000003 110.612 177.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.555 HD11 HG21 ' A' ' 59' ' ' VAL . 13.6 mt -124.58 98.03 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 114.818 -1.083 . . . . 60.329999999999998 108.967 170.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 t70 58.56 36.47 25.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.535 1.134 . . . . 62.039999999999999 111.289 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.69 -22.78 35.84 Favored Glycine 0 CA--C 1.524 0.608 0 CA-C-N 115.734 -0.666 . . . . 64.030000000000001 113.486 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 tt -77.68 113.93 16.02 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 107.693 -1.225 . . . . 73.549999999999997 107.693 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -65.96 121.83 15.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.649 -0.705 . . . . 73.310000000000002 111.192 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' HA ' ' OG ' ' A' ' 61' ' ' SER . . . -83.2 112.32 19.75 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.972 -1.122 . . . . 64.140000000000001 107.972 168.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -75.44 -21.68 57.95 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.929 0.395 . . . . 72.450000000000003 111.286 -171.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -146.58 152.73 39.41 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 109.09 -0.707 . . . . 43.310000000000002 109.09 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -143.56 158.78 43.39 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.174 0.511 . . . . 75.450000000000003 109.843 167.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -135.22 140.32 45.18 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.573 -0.899 . . . . 72.319999999999993 108.573 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.589 HD22 HD13 ' A' ' 14' ' ' LEU . 41.2 mt -111.7 149.62 31.35 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.767 -0.651 . . . . 72.530000000000001 109.877 -177.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.521 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.6 t-20 -82.86 89.95 6.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.014 -1.106 . . . . 61.25 108.014 172.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -71.37 -28.43 64.04 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.0 0.92 . . . . 71.25 111.503 -173.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -65.11 -42.21 94.19 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 124.222 0.951 . . . . 63.539999999999999 110.59 175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.1 tp -77.81 -26.22 49.42 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.086 0.554 . . . . 71.530000000000001 111.225 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 67.4 mt -81.86 -23.71 36.2 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.231 -0.441 . . . . 73.439999999999998 111.764 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -65.8 -40.11 91.59 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 108.996 -0.742 . . . . 63.240000000000002 108.996 171.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -73.21 -28.1 61.99 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 114.83 -1.077 . . . . 63.0 111.409 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.77 -17.64 57.3 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.777 0.323 . . . . 75.430000000000007 111.424 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -89.59 -41.52 11.94 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.042 -1.095 . . . . 71.310000000000002 108.042 -175.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.6 mt -61.82 -38.44 88.16 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 112.701 -2.045 . . . . 74.439999999999998 111.853 170.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.42 -38.91 78.1 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.056 -0.52 . . . . 64.129999999999995 111.407 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.46 -35.57 80.89 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.39 0.431 . . . . 65.109999999999999 111.677 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -74.81 -23.32 58.46 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 115.686 -0.688 . . . . 64.129999999999995 112.112 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.94 4.96 53.03 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.549 0.339 . . . . 74.010000000000005 111.852 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.8 t70 69.56 21.38 6.74 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.455 1.502 . . . . 72.109999999999999 112.061 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -103.38 120.04 53.12 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 115.811 -0.632 . . . . 53.43 109.886 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.58 125.22 15.66 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.17 1.914 . . . . 63.200000000000003 110.272 167.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -92.72 128.11 38.47 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.73 -0.47 . . . . 72.129999999999995 109.73 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.25 120.15 18.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.736 -0.666 . . . . 74.230000000000004 109.61 176.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.2 t -131.32 145.81 52.02 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.741 -0.663 . . . . 72.420000000000002 109.681 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -102.29 15.85 27.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.875 0.369 . . . . 73.030000000000001 110.866 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.79 -176.98 6.46 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.8 -0.815 . . . . 62.520000000000003 108.8 173.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -81.54 156.22 25.35 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 109.627 -0.508 . . . . 74.099999999999994 109.627 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 p -137.91 -26.75 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 120.378 -0.529 . . . . 74.239999999999995 111.855 172.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -138.49 113.78 9.5 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.39 0.614 . . . . 63.130000000000003 110.149 -169.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.27 105.86 13.03 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.153 -0.93 . . . . 64.209999999999994 109.245 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.555 HG21 HD11 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -101.96 120.97 52.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.351 -0.841 . . . . 74.409999999999997 110.619 -176.516 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -107.67 132.36 53.42 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.341 -0.845 . . . . 54.5 109.851 -178.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.45 ' OG ' ' HA ' ' A' ' 27' ' ' ALA . 20.0 m -127.09 144.37 51.05 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.328 -0.851 . . . . 70.319999999999993 109.813 176.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -101.44 105.25 16.24 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.918 0.866 . . . . 74.319999999999993 108.88 172.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.505 ' O ' ' HB ' ' A' ' 66' ' ' THR . 33.7 t70 -105.64 97.75 7.54 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.213 -1.358 . . . . 74.519999999999996 110.246 -170.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.78 -100.69 2.1 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.473 -1.051 . . . . 73.310000000000002 110.473 -174.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -132.4 27.93 4.39 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 122.135 0.969 . . . . 72.510000000000005 109.152 166.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.505 ' HB ' ' O ' ' A' ' 63' ' ' ASP . 5.4 m -109.58 135.52 50.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.098 -1.41 . . . . 71.510000000000005 110.27 -176.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -98.89 102.84 14.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.239 -0.652 . . . . 71.340000000000003 109.239 176.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -119.2 128.49 54.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.414 -0.812 . . . . 75.120000000000005 110.861 -172.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.69 149.28 50.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.454 0.645 . . . . 71.200000000000003 111.878 -177.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 -122.98 127.36 48.73 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.206 -0.907 . . . . 74.430000000000007 109.083 175.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -107.96 116.05 31.24 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.622 -0.51 . . . . 74.120000000000005 109.622 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -103.83 141.57 35.89 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.987 -0.745 . . . . 71.010000000000005 108.987 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.9 m -75.98 161.97 28.47 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.184 -0.916 . . . . 43.439999999999998 110.723 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.428 ' O ' ' HG2' ' A' ' 78' ' ' MET . 43.7 t80 -60.69 -40.67 93.06 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.0 -1.0 . . . . 74.230000000000004 109.923 174.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.41 -46.33 90.57 Favored 'General case' 0 C--O 1.221 -0.439 0 O-C-N 124.206 0.941 . . . . 63.43 112.064 177.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.75 -44.12 97.52 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 124.146 0.904 . . . . 72.230000000000004 111.965 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.7 t -62.83 -36.37 75.22 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 124.01 0.924 . . . . 35.219999999999999 112.681 177.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 74' ' ' TYR . 98.3 mmm -76.36 -35.98 58.42 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.377 0.51 . . . . 73.519999999999996 112.377 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -92.58 6.13 48.4 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 111.911 0.337 . . . . 72.120000000000005 111.911 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.56 128.53 36.44 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.668 -0.696 . . . . 75.430000000000007 110.569 174.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.0 123.95 86.14 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.111 -0.95 . . . . 71.450000000000003 111.522 -170.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -69.4 118.94 5.99 Favored 'Trans proline' 0 C--N 1.358 1.067 0 C-N-CA 122.24 1.96 . . . . 52.43 111.505 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -79.51 161.61 25.92 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.652 -0.869 . . . . 71.109999999999999 108.652 177.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.65 -13.52 62.35 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.262 0.467 . . . . 63.32 112.262 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -67.08 -25.37 66.2 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.473 1.109 . . . . 63.409999999999997 111.214 172.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.65 -12.93 31.91 Favored Glycine 0 C--N 1.345 1.05 0 N-CA-C 114.923 0.729 . . . . 51.130000000000003 114.923 174.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -117.97 -27.68 6.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.156 0.478 . . . . 74.340000000000003 110.874 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.3 m -92.55 147.12 23.14 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.021 -0.536 . . . . 73.010000000000005 110.579 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.504 ' CD1' HD13 ' A' ' 10' ' ' LEU . 74.7 m95 -131.23 137.06 48.75 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.475 -0.784 . . . . 74.209999999999994 109.917 -176.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.435 ' CZ ' ' HB ' ' A' ' 92' ' ' THR . 4.0 tmt_? -95.62 108.11 20.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.512 0.673 . . . . 55.009999999999998 109.445 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 4.2 mm? -91.99 120.15 32.38 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 114.603 -1.181 . . . . 55.399999999999999 108.893 177.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.435 ' HB ' ' CZ ' ' A' ' 90' ' ' ARG . 5.2 t -115.26 99.39 7.37 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 123.145 1.45 . . . . 75.219999999999999 110.922 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.8 p -115.17 -179.52 3.65 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.987 -1.46 . . . . 74.140000000000001 110.294 -170.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.08 -14.54 82.17 Favored Glycine 0 C--N 1.342 0.885 0 N-CA-C 111.479 -0.649 . . . . 73.310000000000002 111.479 175.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -78.91 -50.2 11.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.518 -0.549 . . . . 75.430000000000007 109.518 169.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.09 -159.31 30.26 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-N 115.908 -0.587 . . . . 44.549999999999997 112.981 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.534 ' HA ' ' O ' ' A' ' 91' ' ' LEU . . . -94.26 122.76 37.13 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.888 -0.656 . . . . 65.219999999999999 110.842 -178.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -124.87 135.83 53.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.07 -0.968 . . . . 72.019999999999996 109.691 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 11.5 tt0 -96.68 103.39 15.3 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.583 -0.447 . . . . 73.109999999999999 109.96 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.1 mt -91.95 112.23 24.08 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.444 -0.576 . . . . 63.119999999999997 109.444 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -117.41 111.82 19.84 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.384 -0.599 . . . . 75.140000000000001 109.384 173.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 79.7 m -83.67 111.95 19.6 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.847 -1.07 . . . . 53.130000000000003 110.696 -178.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.566 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 79.2 mt -109.15 171.46 7.42 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.423 -1.262 . . . . 71.25 108.976 178.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 132.61 152.48 7.0 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.432 -0.889 . . . . 54.039999999999999 112.695 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.98 25.91 7.54 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.61 0.719 . . . . 65.510000000000005 110.884 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.0 t -95.7 1.05 10.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 122.964 1.364 . . . . 71.099999999999994 109.949 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.3 p -78.59 -13.33 59.88 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.226 -1.352 . . . . 72.409999999999997 110.743 174.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -133.29 32.23 3.71 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.095 -0.502 . . . . 62.200000000000003 110.606 172.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.6 t -126.07 124.65 41.1 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.561 -0.291 . . . . 55.200000000000003 110.371 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -129.39 90.98 0.31 Allowed Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 116.026 -0.534 . . . . 44.5 113.537 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 37.4 mp0 -84.07 -23.0 31.01 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.805 0.442 . . . . 72.040000000000006 110.683 174.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 72.5 95.0 0.07 Allowed 'General case' 0 C--N 1.354 0.783 0 C-N-CA 125.619 1.568 . . . . 73.310000000000002 111.768 -174.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--O 1.251 1.173 0 CA-C-N 115.435 -0.802 . . . . 51.009999999999998 109.052 175.185 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.8 0 N-CA-C 112.233 -0.347 . . . . 63.43 112.233 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -80.86 -0.94 41.22 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.049 0.388 . . . . 62.420000000000002 112.049 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -62.9 -33.22 74.86 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.588 0.755 . . . . 61.420000000000002 110.197 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 70.2 mtm -74.03 106.7 5.83 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.338 0.589 . . . . 75.530000000000001 109.839 169.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.01 -25.63 29.78 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.867 -1.06 . . . . 74.409999999999997 109.283 177.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 t 50.99 37.3 17.34 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 126.565 1.946 . . . . 53.310000000000002 113.185 172.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -79.14 -12.88 59.99 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 114.544 -1.207 . . . . 73.140000000000001 111.606 -178.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.416 ' HB3' ' OE2' ' A' ' 13' ' ' GLU . 61.7 mtp180 60.68 77.18 0.34 Allowed 'General case' 0 C--O 1.218 -0.577 0 O-C-N 124.664 1.227 . . . . 73.540000000000006 109.277 -168.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.469 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 54.5 m-85 -73.88 157.27 36.6 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.043 -0.981 . . . . 65.129999999999995 109.299 176.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.531 HD13 ' CD1' ' A' ' 89' ' ' TRP . 50.1 tp -67.05 -25.9 66.48 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.354 0.525 . . . . 75.549999999999997 110.741 176.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.4 tp -62.5 -41.12 98.61 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.033 0.444 . . . . 63.009999999999998 110.929 170.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.13 -29.72 60.62 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.8 -0.636 . . . . 73.430000000000007 110.671 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 77.6 mm-40 -67.03 -49.02 66.58 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 123.032 0.533 . . . . 63.399999999999999 111.949 178.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.63 -22.75 65.32 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.655 0.613 . . . . 74.319999999999993 112.655 -173.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -70.22 -18.21 63.16 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.578 0.751 . . . . 72.400000000000006 112.158 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -128.32 11.16 6.35 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.332 0.494 . . . . 64.049999999999997 112.332 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.55 135.55 44.93 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.738 -0.21 . . . . 74.519999999999996 110.602 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.411 ' HB2' ' H ' ' A' ' 106' ' ' VAL . 32.8 t70 -98.24 -27.07 14.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.614 0.721 . . . . 74.310000000000002 109.739 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 33.0 ttp -131.75 143.6 50.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.98 -1.009 . . . . 61.109999999999999 109.955 -170.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mt -134.95 155.2 51.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.443 -0.577 . . . . 61.030000000000001 109.443 176.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -133.05 152.05 51.99 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.252 -1.018 . . . . 62.210000000000001 108.252 171.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.648 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 7.1 tt -131.63 115.95 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-O 122.174 0.987 . . . . 71.140000000000001 111.578 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.416 ' HA ' ' HB3' ' A' ' 99' ' ' GLN . 35.4 m-20 60.63 23.0 12.8 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.39 1.476 . . . . 72.219999999999999 112.274 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.85 -11.53 66.16 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 116.486 -0.325 . . . . 72.040000000000006 113.248 -177.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 tt -89.15 122.33 32.34 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 107.938 -1.134 . . . . 72.150000000000006 107.938 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -74.72 124.06 26.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.805 -0.634 . . . . 70.019999999999996 112.157 -171.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.94 128.89 38.96 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.88 -0.6 . . . . 72.530000000000001 109.696 171.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.6 p-90 -88.67 -25.14 22.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.232 0.539 . . . . 73.209999999999994 110.484 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -142.63 138.36 30.65 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.879 -0.601 . . . . 75.010000000000005 110.031 -175.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -135.47 152.55 51.46 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.31 0.576 . . . . 75.340000000000003 110.547 168.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -111.35 140.98 45.48 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.938 -1.028 . . . . 54.450000000000003 109.404 -176.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 mt -113.81 135.69 53.68 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.91 -0.586 . . . . 72.420000000000002 109.846 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -78.36 89.02 4.36 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 108.698 -0.853 . . . . 65.150000000000006 108.698 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.77 -21.98 56.88 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 122.448 0.299 . . . . 64.310000000000002 111.53 -172.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -64.87 -46.77 80.43 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.277 0.631 . . . . 73.439999999999998 110.567 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 tp -80.51 -28.76 37.36 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.579 -0.737 . . . . 75.409999999999997 111.425 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.6 mt -77.1 -25.23 51.98 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.726 0.41 . . . . 60.149999999999999 112.016 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.27 -37.47 83.49 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 109.827 -0.434 . . . . 72.329999999999998 109.827 173.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -79.61 -25.53 41.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.846 -0.615 . . . . 74.349999999999994 112.072 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.18 -42.02 69.57 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.026 -0.534 . . . . 73.310000000000002 111.075 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.72 -29.19 40.59 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.969 -0.559 . . . . 74.219999999999999 110.336 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.0 tt -56.87 -46.73 81.64 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.012 0.925 . . . . 75.150000000000006 110.711 171.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.51 -41.15 69.57 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.31 -0.859 . . . . 55.399999999999999 110.966 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.93 77.07 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.654 0.613 . . . . 74.230000000000004 112.654 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.24 -18.06 61.85 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 122.725 0.41 . . . . 64.140000000000001 111.692 175.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.76 8.89 43.9 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 111.656 0.243 . . . . 74.25 111.656 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 63.77 34.78 11.72 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.067 1.347 . . . . 45.420000000000002 111.219 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 87.1 mt-30 -113.26 123.69 32.91 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.323 -0.853 . . . . 74.25 109.478 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 48' ' ' GLN . 10.3 Cg_exo -68.49 123.28 10.33 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 121.906 1.737 . . . . 63.329999999999998 111.796 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -94.84 132.44 39.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.326 -0.62 . . . . 72.030000000000001 109.326 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.21 121.55 13.98 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.995 -0.548 . . . . 74.319999999999993 110.656 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 74' ' ' TYR . 46.9 t -139.42 145.4 38.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.274 -0.876 . . . . 60.130000000000003 110.059 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -102.37 12.98 35.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 73.329999999999998 110.917 174.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -79.41 170.65 16.28 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 108.187 -1.042 . . . . 72.430000000000007 108.187 172.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.0 p-90 -73.71 156.2 38.15 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.145 0.497 . . . . 72.329999999999998 109.671 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 p -140.68 -22.16 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 121.129 0.49 . . . . 74.439999999999998 111.733 172.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -133.87 126.25 30.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.106 -0.702 . . . . 65.150000000000006 109.106 -172.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 70' ' ' TRP . . . -130.54 106.49 8.55 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 120.548 0.214 . . . . 75.530000000000001 111.214 173.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -100.4 118.69 47.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-O 120.716 0.293 . . . . 72.120000000000005 110.894 -176.902 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -101.13 119.5 38.83 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.514 -0.551 . . . . 75.150000000000006 109.514 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.6 m -124.72 142.6 51.28 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.17 -0.923 . . . . 70.219999999999999 109.576 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.487 ' HA ' ' O ' ' A' ' 66' ' ' THR . 9.6 mp -95.99 117.44 30.67 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.119 0.485 . . . . 55.310000000000002 110.143 176.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -106.65 99.86 9.41 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-O 122.332 1.063 . . . . 54.409999999999997 108.843 172.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.38 -107.0 2.77 Favored Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 110.466 -1.054 . . . . 74.409999999999997 110.466 -169.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -123.36 8.43 9.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.691 0.758 . . . . 74.030000000000001 109.147 170.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.487 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 11.5 m -86.18 127.1 34.67 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 114.696 -1.138 . . . . 50.450000000000003 110.783 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -92.78 99.83 12.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.351 0.596 . . . . 72.299999999999997 110.275 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -98.99 118.19 35.21 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.732 -1.122 . . . . 71.019999999999996 109.365 -175.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.494 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -116.74 140.75 49.06 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.138 -0.625 . . . . 74.430000000000007 111.422 179.28 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.426 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 19.6 m-90 -115.45 123.16 47.89 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.862 -0.792 . . . . 74.299999999999997 108.862 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -108.68 117.59 34.57 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.876 -0.416 . . . . 74.0 109.876 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -107.76 146.81 31.67 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.318 -0.855 . . . . 75.239999999999995 111.288 -174.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 m -72.36 158.97 34.79 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.266 0.979 . . . . 71.109999999999999 110.731 177.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 52' ' ' SER . 83.9 t80 -62.59 -44.73 95.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.698 -0.683 . . . . 74.400000000000006 111.556 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -64.25 -31.21 72.33 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.652 0.612 . . . . 74.140000000000001 112.652 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.04 -33.88 75.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.973 0.509 . . . . 50.210000000000001 111.884 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.0 t -76.7 -30.47 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 116.252 -0.431 . . . . 74.510000000000005 110.342 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.2 mmt -66.75 -37.02 83.82 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.499 0.555 . . . . 64.5 112.499 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -92.27 7.26 43.53 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.47 0.545 . . . . 73.510000000000005 112.47 -176.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 90' ' ' ARG . . . -59.13 124.55 20.32 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.531 0.567 . . . . 54.350000000000001 112.531 177.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -92.06 135.05 27.64 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 115.47 -0.786 . . . . 74.120000000000005 111.593 -174.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -70.48 120.72 7.34 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.249 1.966 . . . . 52.43 112.548 175.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -80.55 173.38 12.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.391 -0.822 . . . . 75.530000000000001 109.877 176.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.27 -12.23 60.24 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 121.021 0.439 . . . . 74.5 111.836 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.65 -22.54 62.49 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.789 0.836 . . . . 73.150000000000006 111.122 171.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.73 -16.46 14.74 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 114.602 0.601 . . . . 71.040000000000006 114.602 174.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -122.6 -6.66 8.63 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 117.715 0.758 . . . . 71.030000000000001 110.24 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.7 m -96.66 144.99 26.17 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.96 -0.563 . . . . 75.299999999999997 110.139 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.531 ' CD1' HD13 ' A' ' 10' ' ' LEU . 43.5 m95 -131.92 146.54 52.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.473 -0.785 . . . . 73.010000000000005 110.341 -174.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 80' ' ' ALA . 80.0 mtt180 -91.45 108.65 20.04 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.898 -0.408 . . . . 73.519999999999996 109.898 170.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -89.31 99.61 12.57 Favored 'General case' 0 N--CA 1.438 -1.062 0 N-CA-C 107.205 -1.406 . . . . 71.409999999999997 107.205 176.295 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.6 p -95.59 114.35 26.09 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.595 -1.184 . . . . 74.239999999999995 110.777 -170.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.1 p -118.56 -173.87 2.56 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.015 -0.993 . . . . 75.549999999999997 109.975 -176.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.04 -22.34 78.02 Favored Glycine 0 CA--C 1.523 0.563 0 CA-C-N 116.087 -0.506 . . . . 64.310000000000002 112.115 171.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -73.77 -38.84 64.55 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.125 0.57 . . . . 72.219999999999999 110.397 175.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.15 -112.09 0.51 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.04 -0.6 . . . . 70.040000000000006 112.521 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.12 138.29 18.33 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.044 -0.354 . . . . 70.540000000000006 110.044 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.483 ' HB3' HD11 ' A' ' 22' ' ' ILE . 97.5 m-85 -131.27 130.89 43.4 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 123.734 0.814 . . . . 61.049999999999997 109.352 -176.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.648 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 18.7 tt0 -85.62 102.1 13.27 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 120.694 -0.402 . . . . 72.310000000000002 111.558 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.8 mt -93.23 123.21 36.35 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 109.292 -0.633 . . . . 65.420000000000002 109.292 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -117.17 121.19 40.54 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.091 0.472 . . . . 73.239999999999995 110.117 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.0 p -82.92 127.52 33.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.011 -0.995 . . . . 72.140000000000001 110.934 -175.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 57.7 mt -136.2 170.23 16.35 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.485 -0.932 . . . . 74.349999999999994 108.485 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 81.14 163.13 29.96 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.954 -0.641 . . . . 63.030000000000001 113.385 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.53 25.94 1.31 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.074 0.464 . . . . 75.430000000000007 110.849 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.411 ' H ' ' HB2' ' A' ' 18' ' ' ASP . 31.4 t -102.18 85.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.331 -0.618 . . . . 73.409999999999997 109.331 -176.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.2 m 59.45 -105.2 0.23 Allowed 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 113.987 -1.461 . . . . 72.219999999999999 111.395 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -158.79 -89.3 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.862 -0.421 . . . . 64.030000000000001 109.862 173.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.405 ' HB3' ' H ' ' A' ' 110' ' ' GLY . 14.0 m -163.1 -154.68 0.3 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.962 0.905 . . . . 73.299999999999997 109.48 -174.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.405 ' H ' ' HB3' ' A' ' 109' ' ' SER . . . -162.04 160.17 32.23 Favored Glycine 0 N--CA 1.432 -1.633 0 N-CA-C 109.445 -1.462 . . . . 53.039999999999999 109.445 170.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -82.4 104.1 12.45 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.507 -0.923 . . . . 71.010000000000005 108.507 174.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -79.94 137.94 36.99 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.824 -0.625 . . . . 65.540000000000006 110.679 -171.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.242 0.698 0 CA-C-N 115.418 -0.81 . . . . 75.439999999999998 109.029 179.499 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.517 0 N-CA-C 111.342 -0.703 . . . . 40.43 111.342 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 t -165.48 141.83 5.42 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 123.99 0.464 . . . . 60.549999999999997 109.929 -176.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -94.58 7.81 44.41 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.205 0.526 . . . . 73.519999999999996 110.751 173.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 60.2 mtt -111.23 122.25 47.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.172 -0.677 . . . . 72.409999999999997 109.172 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.7 p -71.61 -50.93 26.23 Favored 'General case' 0 C--O 1.224 -0.253 0 O-C-N 123.453 0.471 . . . . 24.440000000000001 109.903 174.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 t -96.87 99.85 11.4 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 108.387 -0.968 . . . . 75.209999999999994 108.387 165.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -69.65 113.52 7.0 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 114.597 -1.183 . . . . 73.25 110.556 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -123.19 73.01 1.14 Allowed 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 108.895 -0.78 . . . . 75.0 108.895 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.529 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 79.0 m-85 -89.93 173.47 8.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.352 -1.294 . . . . 70.430000000000007 108.231 171.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.502 HD13 ' CD1' ' A' ' 89' ' ' TRP . 51.4 tp -61.0 -32.66 72.23 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.348 0.405 . . . . 71.219999999999999 111.061 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.452 HD11 HD22 ' A' ' 37' ' ' LEU . 52.6 tp -55.53 -47.75 75.79 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 124.381 1.051 . . . . 61.229999999999997 111.987 173.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -77.28 -24.1 51.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.938 -0.574 . . . . 61.509999999999998 110.955 -177.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 46.6 mm-40 -75.36 -37.57 60.56 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 115.733 -0.667 . . . . 74.109999999999999 112.555 -178.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.552 HD13 HD22 ' A' ' 32' ' ' LEU . 3.1 pp -71.71 -24.75 61.85 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.916 0.388 . . . . 74.209999999999994 111.912 -178.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -80.71 -19.46 45.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.3 -0.864 . . . . 72.340000000000003 112.163 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.9 p -113.48 10.98 18.3 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.638 0.256 . . . . 74.400000000000006 111.679 -178.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.592 ' HB2' ' HB3' ' A' ' 102' ' ' CYS . . . -100.02 154.43 18.4 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.305 -0.407 . . . . 52.140000000000001 111.666 -176.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -102.04 -34.29 9.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.111 -0.495 . . . . 65.209999999999994 109.85 174.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.429 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 46.2 mtm -131.69 163.63 27.71 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.803 -0.635 . . . . 34.140000000000001 109.545 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.36 129.95 45.44 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.512 -0.921 . . . . 72.420000000000002 108.512 172.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -117.69 130.34 56.28 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.548 -0.908 . . . . 61.43 108.548 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.565 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.3 tt -124.62 113.28 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 CA-C-O 121.937 0.875 . . . . 63.130000000000003 111.998 -172.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 t70 61.03 27.11 17.0 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 114.389 -1.278 . . . . 34.049999999999997 111.796 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.11 0.21 63.69 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.729 -0.669 . . . . 25.23 113.183 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.3 tp -111.64 115.69 29.55 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.751 -0.462 . . . . 73.109999999999999 109.751 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -68.11 116.84 9.19 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.025 -0.534 . . . . 64.099999999999994 110.967 -177.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.82 125.28 29.1 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 108.092 -1.077 . . . . 64.439999999999998 108.092 168.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -21.16 58.51 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 123.597 0.561 . . . . 63.229999999999997 111.755 -172.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -158.74 173.27 16.81 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.092 -0.707 . . . . 65.120000000000005 109.092 169.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -147.42 161.24 41.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.534 -0.757 . . . . 74.420000000000002 110.667 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 5.9 mm-40 -127.36 138.8 53.11 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 115.804 -0.635 . . . . 74.310000000000002 109.599 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.552 HD22 HD13 ' A' ' 14' ' ' LEU . 48.0 mt -118.81 136.88 53.76 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.057 -0.974 . . . . 71.420000000000002 109.478 -177.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.559 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 55.6 t30 -85.63 89.1 7.64 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.734 -0.469 . . . . 75.420000000000002 109.734 177.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -68.6 -30.12 68.79 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.723 -1.126 . . . . 75.319999999999993 112.541 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -57.58 -43.49 84.62 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 124.219 0.95 . . . . 64.409999999999997 111.302 173.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.4 tp -81.7 -23.86 36.55 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.063 -0.517 . . . . 75.519999999999996 110.985 -178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 38.5 mt -76.37 -27.06 56.25 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.246 -0.434 . . . . 64.219999999999999 111.337 177.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.19 -47.4 77.07 Favored 'General case' 0 C--O 1.221 -0.441 0 O-C-N 123.832 0.708 . . . . 52.409999999999997 109.756 172.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -69.66 -28.69 66.09 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 124.117 0.885 . . . . 75.239999999999995 111.538 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.45 -48.12 70.98 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.818 0.699 . . . . 53.229999999999997 111.802 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.21 -29.59 61.8 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.989 -0.551 . . . . 71.099999999999994 111.237 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 tt -60.9 -47.94 84.11 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.46 1.104 . . . . 72.25 110.548 174.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.8 -34.58 64.69 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.984 -0.553 . . . . 52.520000000000003 111.267 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.54 -33.41 75.84 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.863 0.363 . . . . 74.409999999999997 111.787 178.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -80.12 -5.0 55.2 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.873 -0.603 . . . . 74.140000000000001 112.265 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.28 9.99 35.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.635 -0.257 . . . . 53.549999999999997 110.695 171.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 t70 71.58 12.47 6.44 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 124.701 1.2 . . . . 63.350000000000001 111.388 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -101.67 122.45 47.62 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.624 -0.716 . . . . 63.539999999999999 110.164 -174.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -63.79 125.05 14.64 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.789 2.326 . . . . 71.420000000000002 112.529 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -98.9 126.46 44.58 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.66 -0.7 . . . . 74.129999999999995 109.675 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -142.67 119.48 11.2 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.283 -0.636 . . . . 73.310000000000002 109.283 173.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.1 t -128.31 140.25 51.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.737 -0.665 . . . . 45.32 109.754 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -94.63 17.22 13.75 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 120.843 0.354 . . . . 65.400000000000006 111.145 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -85.21 168.62 14.6 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 107.882 -1.155 . . . . 74.099999999999994 107.882 167.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 4.9 p-90 -73.6 156.22 38.28 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.887 0.375 . . . . 71.129999999999995 110.74 -175.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.36 -27.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.359 -0.382 . . . . 73.340000000000003 111.304 171.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.73 131.01 51.44 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.569 0.7 . . . . 75.409999999999997 111.622 -171.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' A' ' 31' ' ' GLU . . . -131.54 102.74 6.05 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 114.443 -1.253 . . . . 55.039999999999999 109.657 169.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.491 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -102.92 137.06 32.51 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 107.546 -1.279 . . . . 72.129999999999995 107.546 176.457 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -134.4 148.47 50.66 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.772 -0.371 . . . . 72.109999999999999 110.536 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.5 t -145.3 121.56 10.88 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.217 -0.901 . . . . 71.409999999999997 109.44 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.7 mt -94.9 105.83 17.78 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.068 -1.086 . . . . 74.25 108.068 166.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.466 ' O ' HG22 ' A' ' 66' ' ' THR . 18.1 t70 -97.78 96.17 8.05 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 108.461 -0.94 . . . . 75.040000000000006 108.461 -178.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.74 -98.01 1.14 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.575 -1.01 . . . . 72.340000000000003 110.575 -169.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -129.83 4.34 4.96 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.251 0.22 . . . . 73.420000000000002 111.067 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 63' ' ' ASP . 11.7 t -90.83 149.41 21.97 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 110.22 -0.289 . . . . 74.420000000000002 110.22 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.82 131.82 54.71 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.503 0.668 . . . . 73.25 111.177 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -131.65 117.12 18.25 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.925 -1.034 . . . . 71.129999999999995 109.335 175.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -127.56 133.56 49.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.315 -0.624 . . . . 65.340000000000003 109.315 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.491 ' HB2' HG23 ' A' ' 59' ' ' VAL . 8.4 m-90 -117.12 123.32 46.48 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 108.612 -0.885 . . . . 73.420000000000002 108.612 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -109.65 116.85 32.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.608 -0.724 . . . . 72.340000000000003 109.845 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -114.63 142.98 45.75 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.994 -0.548 . . . . 72.109999999999999 110.452 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 66.3 p -82.06 163.69 21.89 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 124.191 0.932 . . . . 73.019999999999996 109.942 174.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -66.49 -32.28 73.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.923 -0.58 . . . . 74.200000000000003 110.528 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -67.33 -35.13 78.78 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 115.042 -0.981 . . . . 63.210000000000001 110.735 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.73 63.75 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 123.687 0.617 . . . . 51.299999999999997 112.119 177.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.5 t -70.76 -26.19 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.254 0.622 . . . . 74.049999999999997 110.942 173.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.4 mmt -74.21 -26.34 60.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.088 -0.506 . . . . 72.329999999999998 111.599 171.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.54 11.01 32.42 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.167 0.587 . . . . 74.140000000000001 111.631 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.35 117.62 17.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.869 -0.605 . . . . 54.509999999999998 110.858 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -80.95 128.33 71.64 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 114.479 -1.237 . . . . 72.420000000000002 110.163 -175.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -66.37 121.83 9.19 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 121.661 1.574 . . . . 74.140000000000001 111.692 173.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -86.78 168.16 13.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.012 -0.54 . . . . 73.530000000000001 110.123 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.53 -16.08 62.32 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.485 0.55 . . . . 54.109999999999999 112.485 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.66 -23.82 62.58 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.466 0.706 . . . . 61.43 111.279 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.91 -14.64 25.21 Favored Glycine 0 C--N 1.34 0.804 0 N-CA-C 114.523 0.569 . . . . 74.120000000000005 114.523 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -117.64 -20.28 9.02 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 117.328 0.564 . . . . 72.200000000000003 110.714 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.4 m -90.31 146.88 23.86 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.635 -0.711 . . . . 65.549999999999997 110.332 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.502 ' CD1' HD13 ' A' ' 10' ' ' LEU . 67.3 m95 -127.27 151.23 49.01 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.571 -0.74 . . . . 74.430000000000007 109.63 178.098 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -104.42 100.37 10.07 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.201 -0.666 . . . . 74.0 109.201 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.52 98.83 11.91 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.53 -0.915 . . . . 72.239999999999995 108.53 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.1 p -100.75 119.95 39.37 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.235 -0.893 . . . . 73.310000000000002 110.131 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.1 p -116.42 -179.03 3.56 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.925 -1.034 . . . . 71.109999999999999 108.739 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -76.12 -24.65 68.32 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 120.901 -0.666 . . . . 73.409999999999997 111.484 171.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -75.58 -48.87 20.47 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.338 0.655 . . . . 55.130000000000003 110.096 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -164.14 -152.72 7.07 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.316 -0.469 . . . . 75.010000000000005 113.275 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -148.18 108.95 4.2 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.683 0.793 . . . . 72.25 109.566 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.454 ' HB3' HD11 ' A' ' 22' ' ' ILE . 86.2 m-85 -127.17 129.37 47.74 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 123.597 0.759 . . . . 75.549999999999997 110.278 -165.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.565 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 22.6 tt0 -89.74 105.03 17.53 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.806 -0.358 . . . . 71.120000000000005 111.222 -174.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 38.0 mt -91.07 111.56 23.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.895 0.378 . . . . 61.240000000000002 110.233 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -115.63 122.57 46.0 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.808 -0.812 . . . . 60.350000000000001 108.808 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.592 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 95.3 m -86.22 119.16 26.2 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.663 -0.699 . . . . 70.239999999999995 110.978 -178.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.429 ' HB2' ' HB2' ' A' ' 19' ' ' MET . 2.1 mt -102.6 91.8 4.37 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.034 -0.53 . . . . 65.409999999999997 110.169 -175.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -94.75 79.99 0.9 Allowed Glycine 0 N--CA 1.441 -1.003 0 N-CA-C 110.333 -1.107 . . . . 64.299999999999997 110.333 172.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.7 2.82 9.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.261 0.553 . . . . 72.319999999999993 111.691 -173.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.5 t -108.81 88.64 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 N-CA-C 107.083 -1.451 . . . . 71.040000000000006 107.083 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.0 t 63.53 -165.46 0.24 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.575 -1.193 . . . . 61.130000000000003 108.686 -171.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.94 64.63 1.29 Allowed 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 108.834 -0.802 . . . . 63.340000000000003 108.834 168.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.6 m -77.07 -83.18 0.08 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.383 -1.28 . . . . 71.230000000000004 110.479 -177.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.27 -85.44 0.6 Allowed Glycine 0 C--N 1.338 0.666 0 O-C-N 123.526 0.516 . . . . 73.329999999999998 113.042 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -105.77 147.85 28.14 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.748 -0.464 . . . . 65.430000000000007 109.748 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -86.08 -38.8 17.43 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.969 -0.559 . . . . 71.349999999999994 110.365 176.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--O 1.24 0.566 0 CA-C-O 118.403 -0.808 . . . . 70.120000000000005 110.405 -179.821 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.941 0 N-CA-C 111.975 -0.45 . . . . 42.32 111.975 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 t -115.96 109.81 18.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.82 0.343 . . . . 73.450000000000003 110.214 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -123.21 36.7 4.58 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.994 -0.743 . . . . 65.510000000000005 108.994 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.1 mtt -79.46 96.99 6.22 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.987 0.899 . . . . 72.329999999999998 110.464 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.8 p -89.72 -33.93 16.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.309 -1.314 . . . . 74.519999999999996 112.187 -172.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.0 t -78.1 17.47 0.61 Allowed 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 115.115 -0.948 . . . . 63.210000000000001 112.87 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -77.78 -5.31 50.32 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.559 -0.746 . . . . 73.430000000000007 109.968 164.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? 60.44 77.83 0.31 Allowed 'General case' 0 C--N 1.353 0.734 0 C-N-CA 125.989 1.716 . . . . 74.439999999999998 111.82 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.543 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 61.7 m-85 -93.79 149.26 21.38 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.589 -1.187 . . . . 61.109999999999999 108.352 173.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.613 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 33.8 tp -64.07 -31.31 72.46 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 123.784 0.677 . . . . 63.0 110.723 176.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.08 -37.85 88.95 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.0 0.37 . . . . 51.549999999999997 112.0 173.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.62 -35.19 79.59 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.837 0.71 . . . . 64.209999999999994 110.609 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 22.2 mm-40 -65.88 -41.25 91.81 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 124.185 0.928 . . . . 73.349999999999994 111.421 178.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 50.3 mt -66.37 -42.19 88.35 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.545 1.153 . . . . 71.319999999999993 111.062 -178.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.18 -29.19 70.32 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.81 -0.632 . . . . 74.219999999999999 112.171 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.3 p -104.35 14.09 30.84 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.617 0.599 . . . . 72.239999999999995 112.617 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.46 128.16 54.55 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 120.826 0.346 . . . . 74.010000000000005 110.886 178.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -84.69 -38.17 20.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.87 0.843 . . . . 70.349999999999994 108.901 174.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.1 ttp -124.79 147.83 48.49 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 113.839 -1.528 . . . . 70.040000000000006 108.793 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.3 tp -139.04 129.58 25.84 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.217 -0.66 . . . . 65.329999999999998 109.217 -177.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -104.42 152.46 22.29 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.921 -0.311 . . . . 75.349999999999994 110.387 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.544 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 14.6 tt -136.46 116.89 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 CA-C-O 121.634 0.73 . . . . 72.239999999999995 111.588 174.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 t70 63.84 20.85 12.41 Favored 'General case' 0 CA--C 1.557 1.228 0 CA-C-N 114.425 -1.261 . . . . 71.109999999999999 112.241 174.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.16 0.39 55.96 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 120.986 -0.626 . . . . 72.400000000000006 113.389 -175.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.2 tp -115.35 116.66 28.65 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.97 0.508 . . . . 75.310000000000002 110.142 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -70.5 120.51 16.25 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 112.622 0.601 . . . . 74.349999999999994 112.622 -176.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.03 136.9 32.77 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.49 -0.323 . . . . 54.200000000000003 110.416 178.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.2 p-90 -83.61 -27.19 29.36 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.089 -0.505 . . . . 74.549999999999997 110.598 -174.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -146.99 149.06 32.39 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.291 -0.633 . . . . 72.0 109.291 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' HB3' HG12 ' A' ' 59' ' ' VAL . 52.8 p90 -139.09 150.3 45.54 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 121.326 0.584 . . . . 64.040000000000006 109.846 169.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -116.19 136.41 53.04 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.08 -0.964 . . . . 73.040000000000006 110.894 -176.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -111.36 136.23 50.78 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.215 -0.902 . . . . 65.340000000000003 109.775 176.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -77.81 102.46 7.22 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.599 -0.889 . . . . 74.140000000000001 108.599 175.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.97 -36.93 75.59 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 124.334 1.021 . . . . 73.120000000000005 111.833 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -62.46 -40.73 97.57 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 123.98 0.8 . . . . 64.25 111.661 176.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.7 tp -79.7 -27.39 40.7 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.487 -0.324 . . . . 64.439999999999998 111.239 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.2 mt -81.83 -17.56 47.0 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 111.954 0.353 . . . . 53.030000000000001 111.954 176.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -68.05 -42.71 80.09 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 109.134 -0.691 . . . . 61.32 109.134 170.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -75.86 -27.39 57.78 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 114.851 -1.068 . . . . 62.329999999999998 111.137 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.17 -44.5 79.56 Favored 'General case' 0 C--O 1.222 -0.351 0 O-C-N 123.514 0.509 . . . . 53.5 111.375 175.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.52 -36.16 73.59 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.388 -0.823 . . . . 72.530000000000001 110.577 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.8 -49.51 76.04 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 124.379 1.05 . . . . 72.439999999999998 110.364 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.3 -36.0 76.58 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.856 0.723 . . . . 74.530000000000001 111.496 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.18 79.66 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 123.337 0.398 . . . . 33.509999999999998 111.527 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.06 -26.9 62.36 Favored 'General case' 0 C--O 1.225 -0.194 0 N-CA-C 112.397 0.517 . . . . 74.519999999999996 112.397 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.77 5.45 32.36 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.593 0.558 . . . . 73.120000000000005 111.334 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 t70 65.73 31.72 9.46 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.998 1.319 . . . . 72.140000000000001 110.822 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -118.43 114.67 36.22 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 114.646 -1.161 . . . . 61.140000000000001 109.273 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.84 124.71 16.92 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.731 2.287 . . . . 64.430000000000007 112.342 169.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.411 ' HD2' ' CZ ' ' A' ' 74' ' ' TYR . 47.6 t80 -93.06 137.96 31.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.31 -0.859 . . . . 71.019999999999996 110.173 -173.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.53 132.01 18.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.067 -0.515 . . . . 62.25 109.795 175.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -144.8 154.83 43.1 Favored 'General case' 0 CA--C 1.518 -0.25 0 C-N-CA 123.028 0.531 . . . . 73.400000000000006 109.669 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -98.61 3.43 47.93 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.212 0.449 . . . . 73.329999999999998 112.212 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.53 163.75 27.59 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.348 -0.612 . . . . 75.540000000000006 109.348 173.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.479 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 8.7 p-90 -68.49 149.58 49.1 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 109.875 -0.417 . . . . 72.430000000000007 109.875 -178.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 p -135.52 -19.68 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.405 -0.518 . . . . 41.299999999999997 111.07 172.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.32 115.57 8.45 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.194 0.521 . . . . 73.340000000000003 110.513 -171.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.86 109.16 13.27 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.461 -0.79 . . . . 74.019999999999996 109.888 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.424 HG12 ' HB3' ' A' ' 30' ' ' PHE . 35.3 m -99.87 135.4 35.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.079 0.466 . . . . 74.099999999999994 110.441 -177.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -110.4 129.09 55.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.037 -0.529 . . . . 74.439999999999998 109.794 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.429 ' HB3' ' CZ3' ' A' ' 70' ' ' TRP . 38.3 t -135.92 132.87 37.04 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.748 -0.834 . . . . 73.219999999999999 108.748 174.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.8 mt -95.37 106.52 18.58 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.377 -0.828 . . . . 74.299999999999997 109.022 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.416 ' O ' HG22 ' A' ' 66' ' ' THR . 4.7 p-10 -96.13 117.05 29.95 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.765 -0.828 . . . . 71.329999999999998 108.765 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.16 -111.54 3.46 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 109.501 -1.44 . . . . 64.209999999999994 109.501 -166.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -132.04 21.38 4.51 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.425 0.29 . . . . 72.230000000000004 110.798 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 63' ' ' ASP . 3.9 t -97.0 160.77 14.15 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.654 0.264 . . . . 74.209999999999994 110.932 -177.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -101.08 120.83 40.79 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.715 -0.476 . . . . 65.129999999999995 109.715 175.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.4 ttm105 -141.82 137.14 31.27 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.794 -0.447 . . . . 73.120000000000005 109.794 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.17 155.4 38.56 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.028 -0.533 . . . . 72.349999999999994 110.681 178.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.429 ' CZ3' ' HB3' ' A' ' 61' ' ' SER . 6.8 m-90 -124.94 122.78 38.34 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.979 -1.489 . . . . 74.219999999999999 106.979 174.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -114.13 126.3 54.93 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.197 0.523 . . . . 74.540000000000006 109.639 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -121.4 139.17 53.79 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.36 -0.836 . . . . 54.530000000000001 110.017 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 64.5 p -72.75 163.11 28.61 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.309 -0.859 . . . . 55.439999999999998 110.198 174.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.411 ' CZ ' ' HD2' ' A' ' 50' ' ' PHE . 40.2 t80 -60.08 -34.5 73.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.679 -1.146 . . . . 64.329999999999998 110.334 175.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.437 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 1.1 t30 -74.64 -37.5 62.75 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 114.521 -1.218 . . . . 73.319999999999993 111.69 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.6 -35.46 80.24 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 123.589 0.556 . . . . 71.109999999999999 111.79 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.5 t -70.36 -30.13 41.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 123.706 0.802 . . . . 71.230000000000004 111.285 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.4 mmt -76.26 -25.87 55.4 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.803 0.668 . . . . 51.100000000000001 112.803 174.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 75' ' ' ASN . 52.4 mt-10 -84.1 -6.57 59.43 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 123.49 0.494 . . . . 71.420000000000002 112.264 -179.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.466 ' HB2' HD22 ' A' ' 91' ' ' LEU . . . -64.59 120.31 12.12 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.433 1.083 . . . . 73.409999999999997 112.322 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -82.91 133.42 48.61 Favored Pre-proline 0 N--CA 1.444 -0.77 0 CA-C-N 114.189 -1.369 . . . . 53.299999999999997 110.116 -174.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -64.38 129.39 23.84 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 121.978 1.785 . . . . 64.340000000000003 111.666 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -97.42 154.83 17.22 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.801 -0.36 . . . . 52.32 110.106 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.56 -6.15 44.76 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.862 -0.608 . . . . 64.150000000000006 111.677 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -67.67 -22.69 65.28 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 114.988 -1.006 . . . . 74.340000000000003 111.061 172.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.21 -15.58 57.91 Favored Glycine 0 C--N 1.343 0.92 0 N-CA-C 114.939 0.736 . . . . 61.399999999999999 114.939 170.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -136.39 -9.73 1.94 Allowed 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.409 0.605 . . . . 74.140000000000001 111.452 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.1 m -101.8 154.57 18.79 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.075 0.464 . . . . 44.020000000000003 110.71 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.456 ' CD1' HD13 ' A' ' 10' ' ' LEU . 77.2 m95 -133.59 142.23 48.04 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.018 -0.992 . . . . 74.510000000000005 110.188 -176.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 80' ' ' ALA . 7.8 tmm_? -89.66 98.52 11.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.41 -0.814 . . . . 75.409999999999997 109.981 -178.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -93.51 130.19 39.46 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.31 -0.996 . . . . 64.239999999999995 108.31 176.906 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.6 m -133.66 133.11 41.51 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.895 -0.779 . . . . 75.219999999999999 108.895 171.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.1 p -127.07 -173.28 2.85 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 124.215 0.947 . . . . 71.049999999999997 110.237 -175.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.17 -12.51 84.27 Favored Glycine 0 C--N 1.342 0.883 0 O-C-N 123.738 0.649 . . . . 54.020000000000003 112.854 170.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -87.48 -48.97 7.51 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.691 -0.485 . . . . 72.040000000000006 109.691 175.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 171.27 -164.31 37.27 Favored Glycine 0 N--CA 1.446 -0.667 0 O-C-N 123.588 0.555 . . . . 61.140000000000001 112.589 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.53 128.99 55.59 Favored 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 122.981 0.512 . . . . 50.43 110.537 -172.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -130.69 157.95 41.4 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.364 1.066 . . . . 74.209999999999994 109.733 -173.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.544 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 45.7 tt0 -121.95 107.56 12.4 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 121.828 -0.545 . . . . 74.129999999999995 110.903 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.4 mt -92.23 113.18 25.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.186 0.517 . . . . 72.530000000000001 110.633 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -115.79 123.9 49.39 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.57 -0.741 . . . . 72.310000000000002 110.419 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.3 p -84.71 133.6 34.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.541 -0.754 . . . . 72.209999999999994 111.007 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 98.6 mt -130.53 118.39 21.01 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.024 -0.535 . . . . 64.230000000000004 109.81 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -122.78 86.15 0.38 Allowed Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 120.602 -0.809 . . . . 74.219999999999999 112.181 -178.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.03 18.64 0.87 Allowed 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.843 0.378 . . . . 74.25 111.515 177.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.9 t -120.07 90.31 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 110.163 -0.31 . . . . 51.210000000000001 110.163 -175.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.9 t 79.04 -49.8 0.43 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 125.272 1.429 . . . . 63.229999999999997 113.508 174.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 74.75 -53.72 0.67 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 126.441 1.897 . . . . 71.120000000000005 111.734 -173.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.8 m -80.95 97.71 7.57 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 123.098 0.559 . . . . 74.239999999999995 109.999 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 173.23 88.74 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.792 0 N-CA-C 111.984 -0.446 . . . . 73.549999999999997 111.984 -178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -85.29 -50.1 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 122.653 0.381 . . . . 74.109999999999999 110.259 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -143.29 -52.66 0.36 Allowed 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.563 -0.744 . . . . 71.129999999999995 110.041 -176.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--O 1.241 0.634 0 CA-C-O 118.523 -0.751 . . . . 64.349999999999994 110.388 179.612 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.884 -0.486 . . . . 72.450000000000003 111.884 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -87.7 87.13 7.29 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.437 0.637 . . . . 65.299999999999997 110.126 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -99.33 85.26 3.15 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.288 -1.004 . . . . 73.109999999999999 108.288 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.9 ptt? -125.63 123.05 38.14 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.917 -1.038 . . . . 71.129999999999995 111.666 -170.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.35 -25.24 29.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.894 -1.048 . . . . 74.099999999999994 111.046 173.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 t -67.55 109.1 3.1 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.686 1.232 . . . . 73.329999999999998 110.847 168.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.54 11.48 4.87 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.64 -1.164 . . . . 63.539999999999999 109.671 171.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 57.93 71.01 0.6 Allowed 'General case' 0 C--N 1.346 0.45 0 C-N-CA 123.895 0.878 . . . . 63.439999999999998 110.263 -167.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -86.78 176.61 7.64 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 114.768 -1.106 . . . . 74.319999999999993 108.473 171.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.93 -29.19 69.0 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.758 0.313 . . . . 71.099999999999994 110.569 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.1 tp -70.49 -31.21 68.22 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.492 -0.777 . . . . 74.129999999999995 111.49 174.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -80.12 -26.07 39.63 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.276 0.56 . . . . 64.299999999999997 110.067 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.427 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 32.4 mm-40 -84.6 -24.98 28.93 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 113.572 0.953 . . . . 75.420000000000002 113.572 -176.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pp -78.04 -21.83 50.09 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.592 0.633 . . . . 63.219999999999999 111.966 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -75.77 -26.45 57.38 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.804 -0.634 . . . . 74.540000000000006 111.091 172.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 p -102.86 27.03 7.39 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 116.035 -0.529 . . . . 74.25 110.737 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.48 147.83 50.7 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-O 121.198 0.523 . . . . 64.120000000000005 111.873 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -100.56 -51.52 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.844 -1.071 . . . . 75.439999999999998 109.382 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.543 ' HG3' ' HB2' ' A' ' 103' ' ' LEU . 11.9 ptt? -123.14 152.4 41.17 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.441 -1.254 . . . . 74.049999999999997 109.124 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HG ' ' CD2' ' A' ' 30' ' ' PHE . 20.0 mt -110.3 170.36 8.13 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 109.252 -0.647 . . . . 64.430000000000007 109.252 175.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.498 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 36.7 tt0 -138.43 137.61 37.38 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.557 -0.905 . . . . 72.019999999999996 108.557 174.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.2 mt -120.77 102.04 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.626 -0.509 . . . . 75.209999999999994 109.626 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.6 t70 65.43 30.1 11.02 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.102 1.361 . . . . 65.299999999999997 111.499 173.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.65 -22.19 40.76 Favored Glycine 0 C--O 1.23 -0.119 0 C-N-CA 120.929 -0.653 . . . . 41.229999999999997 112.94 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tt -85.03 109.73 18.42 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.002 -1.11 . . . . 73.329999999999998 108.002 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -68.06 121.56 16.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.029 -0.532 . . . . 75.030000000000001 110.462 -177.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.39 137.83 38.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.186 -0.916 . . . . 51.109999999999999 109.518 176.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -82.07 -33.94 29.64 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 120.784 -0.366 . . . . 74.519999999999996 111.081 -174.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -155.54 137.78 14.78 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.912 -0.403 . . . . 74.510000000000005 109.912 -172.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.431 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 31.9 p90 -125.22 161.84 26.01 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.451 -0.795 . . . . 61.210000000000001 109.852 172.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 47.8 mt-10 -125.63 140.38 52.78 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.728 -0.669 . . . . 64.209999999999994 109.798 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.7 mt -114.88 134.04 55.48 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.804 -0.443 . . . . 72.230000000000004 109.804 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.503 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.0 t-20 -78.76 91.93 4.76 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.561 -0.903 . . . . 73.140000000000001 108.561 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -70.72 -27.31 63.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.303 -0.862 . . . . 50.140000000000001 111.615 -175.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -64.17 -47.4 79.97 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.918 0.887 . . . . 54.32 111.625 173.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.7 tp -72.79 -27.23 61.87 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 122.399 0.28 . . . . 71.140000000000001 110.894 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 54.8 mt -80.1 -20.59 44.73 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 112.361 0.504 . . . . 70.019999999999996 112.361 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -68.51 -39.69 81.12 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 123.629 0.581 . . . . 63.229999999999997 109.767 171.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -76.74 -28.54 55.8 Favored 'General case' 0 C--O 1.224 -0.282 0 O-C-N 124.371 1.044 . . . . 63.119999999999997 111.079 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.7 -33.64 66.6 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-N 115.744 -0.662 . . . . 71.319999999999993 110.901 177.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -76.94 -36.62 56.42 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.427 -0.806 . . . . 60.229999999999997 110.641 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.81 -47.17 87.55 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.794 1.238 . . . . 72.230000000000004 110.255 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.51 80.65 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 124.026 0.829 . . . . 45.439999999999998 111.507 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.52 94.24 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.338 0.399 . . . . 71.120000000000005 111.703 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -74.25 -21.95 59.55 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.962 -0.563 . . . . 75.430000000000007 112.152 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.67 0.81 55.17 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 122.917 0.487 . . . . 75.420000000000002 111.729 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.1 t70 67.52 28.83 7.47 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.617 1.567 . . . . 73.530000000000001 111.894 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -113.04 124.76 30.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.056 -0.975 . . . . 74.140000000000001 109.52 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -58.76 130.31 36.37 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.585 2.19 . . . . 52.310000000000002 111.64 171.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -98.95 127.58 44.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.257 0.551 . . . . 71.409999999999997 110.387 -176.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -133.47 127.52 33.45 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.808 -0.812 . . . . 70.219999999999999 108.808 174.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.2 t -149.14 134.9 18.79 Favored 'General case' 0 C--O 1.222 -0.38 0 O-C-N 123.396 0.435 . . . . 71.349999999999994 110.324 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -91.47 14.27 15.27 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.446 0.535 . . . . 63.140000000000001 112.446 176.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -78.05 157.07 29.71 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 108.34 -0.985 . . . . 61.340000000000003 108.34 169.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.499 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 10.0 p-90 -64.67 149.46 49.01 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.691 0.619 . . . . 72.439999999999998 110.506 -177.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.03 -19.82 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.259 0.552 . . . . 71.549999999999997 110.501 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' A' ' 31' ' ' GLU . 60.2 tp -148.7 111.45 4.8 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-O 121.409 0.623 . . . . 75.430000000000007 111.27 -169.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.37 103.69 13.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.581 -0.736 . . . . 14.02 109.208 175.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 t -100.08 124.48 53.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.48 -0.782 . . . . 73.510000000000005 108.938 -173.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -121.64 141.71 50.85 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.457 0.646 . . . . 54.240000000000002 111.123 -177.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.3 m -134.86 153.79 51.91 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.541 -1.209 . . . . 74.030000000000001 109.602 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.43 ' HA ' ' O ' ' A' ' 66' ' ' THR . 6.4 mp -123.38 107.84 12.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.705 -0.225 . . . . 75.450000000000003 111.134 176.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -97.71 115.96 28.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.358 -0.979 . . . . 64.25 108.358 171.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.03 -95.83 1.42 Allowed Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.381 -1.088 . . . . 63.009999999999998 110.381 -167.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -151.24 27.37 0.68 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.662 0.785 . . . . 53.450000000000003 111.07 171.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 9.0 t -97.67 146.72 25.05 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.128 -0.629 . . . . 74.030000000000001 110.193 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -93.91 100.05 12.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.048 0.451 . . . . 72.510000000000005 110.084 -176.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -98.95 115.34 28.67 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.867 -0.606 . . . . 74.140000000000001 110.449 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -122.84 130.76 53.27 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.098 -0.501 . . . . 74.239999999999995 110.21 -175.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -121.44 121.94 38.68 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.565 -0.902 . . . . 75.120000000000005 108.565 175.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -102.52 119.56 39.04 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.529 -0.545 . . . . 71.040000000000006 109.529 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -104.81 136.76 43.71 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.051 -0.977 . . . . 72.129999999999995 108.575 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 77.7 p -80.05 166.58 21.4 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.808 -0.633 . . . . 74.120000000000005 110.3 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -61.64 -37.28 83.42 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 115.406 -0.815 . . . . 74.209999999999994 109.768 175.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -68.19 -36.2 79.21 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 124.554 1.159 . . . . 72.439999999999998 111.279 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.87 -40.53 79.25 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.608 0.568 . . . . 73.140000000000001 111.545 176.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 37.5 t -66.23 -30.72 50.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 124.193 0.997 . . . . 72.319999999999993 112.023 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.4 mmt -67.22 -51.67 50.41 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.398 -0.364 . . . . 65.200000000000003 111.675 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -80.65 -1.93 44.43 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.695 0.628 . . . . 72.230000000000004 112.695 -176.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.99 126.8 29.16 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.56 0.695 . . . . 60.149999999999999 110.719 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.461 ' HB3' ' HB3' ' A' ' 90' ' ' ARG . 22.3 tt0 -83.12 129.77 59.78 Favored Pre-proline 0 N--CA 1.44 -0.973 0 CA-C-N 113.52 -1.673 . . . . 73.230000000000004 111.143 -167.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -69.46 122.83 9.59 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.792 1.661 . . . . 71.439999999999998 111.194 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -87.49 166.05 15.07 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.879 -0.6 . . . . 71.510000000000005 109.632 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.94 -4.66 39.41 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.94 -0.573 . . . . 62.509999999999998 112.313 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.95 -24.77 59.69 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.565 0.746 . . . . 74.340000000000003 110.929 172.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.93 -14.49 37.5 Favored Glycine 0 C--N 1.34 0.76 0 N-CA-C 115.392 0.917 . . . . 55.409999999999997 115.392 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -125.39 -20.73 4.71 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 117.465 0.633 . . . . 71.030000000000001 110.802 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.6 m -89.79 146.79 24.22 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.949 -0.569 . . . . 53.399999999999999 110.797 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -128.4 158.98 36.79 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 114.622 -1.172 . . . . 74.230000000000004 109.824 -175.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.461 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 68.2 ttt180 -120.06 103.17 9.06 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 121.282 0.563 . . . . 71.409999999999997 110.565 -175.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.02 135.8 33.5 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.87 -1.059 . . . . 75.030000000000001 108.415 172.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.9 t -125.94 130.15 50.69 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.453 -0.943 . . . . 71.109999999999999 108.453 172.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 76.9 p -129.18 -174.73 3.35 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.748 -0.66 . . . . 71.239999999999995 109.331 -175.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.47 -20.21 78.77 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.079 -0.581 . . . . 71.329999999999998 112.535 174.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.01 -45.76 19.55 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 122.845 0.458 . . . . 75.519999999999996 109.786 177.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.17 -117.42 0.63 Allowed Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.974 -0.632 . . . . 73.239999999999995 112.725 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -142.23 151.56 42.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 122.928 0.491 . . . . 54.420000000000002 109.739 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -139.91 121.31 15.03 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 109.263 -0.643 . . . . 72.409999999999997 109.263 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -90.37 108.86 20.04 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 119.968 -0.693 . . . . 73.420000000000002 109.457 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.498 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 10.3 mt -95.27 109.03 21.21 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 120.614 0.245 . . . . 71.129999999999995 111.408 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -104.95 128.83 53.38 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.259 -0.576 . . . . 74.519999999999996 110.227 174.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 63.9 m -85.59 132.96 34.08 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.953 -1.021 . . . . 62.329999999999998 110.953 -178.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.543 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 87.9 mt -138.08 133.87 34.0 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.431 -0.804 . . . . 52.439999999999998 110.542 -168.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 74.12 -166.03 54.75 Favored Glycine 0 N--CA 1.47 0.967 0 CA-C-O 119.32 -0.711 . . . . 42.140000000000001 111.9 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -160.02 70.89 0.45 Allowed 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 117.546 0.673 . . . . 34.119999999999997 111.68 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 44.5 t -136.12 99.44 2.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 108.365 -0.976 . . . . 70.209999999999994 108.365 175.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.8 t -128.09 -162.58 1.19 Allowed 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 108.884 -0.784 . . . . 54.009999999999998 108.884 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.78 113.04 5.21 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.009 0.524 . . . . 71.0 112.126 -175.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.3 m -71.74 -22.11 61.66 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.941 -0.572 . . . . 43.310000000000002 112.06 -176.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -140.81 147.56 19.2 Favored Glycine 0 N--CA 1.435 -1.391 0 N-CA-C 109.441 -1.464 . . . . 63.43 109.441 169.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -75.52 111.42 10.8 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.248 -0.649 . . . . 60.439999999999998 109.248 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 22.7 t70 75.29 3.0 3.99 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 125.997 1.719 . . . . 64.019999999999996 111.672 -176.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.242 0.702 0 O-C-N 121.394 -0.816 . . . . 63.130000000000003 109.867 -178.398 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.474 0 N-CA-C 111.986 -0.445 . . . . 65.540000000000006 111.986 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m -119.88 66.37 0.81 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.483 0.659 . . . . 75.420000000000002 109.958 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -94.79 -34.22 12.58 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.921 -0.581 . . . . 74.140000000000001 110.229 174.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 69.9 mtm -73.08 120.06 18.18 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 107.928 -1.138 . . . . 42.520000000000003 107.928 170.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.77 -49.26 14.72 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-N 115.459 -0.791 . . . . 73.439999999999998 109.249 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.96 24.36 13.49 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.129 1.372 . . . . 70.040000000000006 113.092 170.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 56.67 46.17 20.69 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.335 1.054 . . . . 72.230000000000004 111.709 -173.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -96.41 66.59 2.41 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 107.225 -1.398 . . . . 60.219999999999999 107.225 173.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -74.22 172.9 10.96 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.372 -1.285 . . . . 72.450000000000003 109.019 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.429 HD13 ' CD1' ' A' ' 89' ' ' TRP . 54.5 tp -62.68 -31.64 72.57 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.973 -0.291 . . . . 74.400000000000006 110.698 174.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.48 HD11 HD22 ' A' ' 37' ' ' LEU . 66.9 tp -61.11 -41.29 96.43 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 124.098 0.874 . . . . 73.25 112.26 173.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -80.06 -25.76 39.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.77 0.319 . . . . 71.340000000000003 110.903 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -80.82 -27.33 36.58 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 113.529 0.937 . . . . 74.329999999999998 113.529 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.458 HD22 HD21 ' A' ' 57' ' ' LEU . 2.9 pp -75.34 -21.32 58.47 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.532 0.606 . . . . 72.019999999999996 111.472 179.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -76.77 -33.22 58.07 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.7 -0.682 . . . . 71.200000000000003 110.963 175.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 p -98.12 -5.89 32.72 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.929 0.714 . . . . 61.43 112.929 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.77 136.92 32.78 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 120.782 0.325 . . . . 41.299999999999997 110.798 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.84 -34.44 11.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.42 -0.809 . . . . 72.420000000000002 110.176 175.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 19.1 ttt -118.16 141.39 48.54 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.585 -0.734 . . . . 72.540000000000006 109.268 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 tp -132.93 125.42 29.79 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.985 -0.746 . . . . 53.43 108.985 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -115.03 148.52 38.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.117 -0.492 . . . . 74.319999999999993 110.624 -175.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 52.5 mt -123.52 96.55 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 121.018 0.437 . . . . 64.5 110.18 173.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.2 t70 50.75 63.3 2.28 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 113.931 -1.486 . . . . 61.219999999999999 113.186 173.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.7 0.68 69.05 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 115.331 -0.849 . . . . 64.319999999999993 114.218 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.1 tp -120.68 108.24 13.76 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 108.568 -0.901 . . . . 63.140000000000001 108.568 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -70.74 132.39 45.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.345 -0.389 . . . . 73.25 110.528 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.51 125.14 28.87 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.659 -1.237 . . . . 51.200000000000003 107.659 171.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -75.09 -27.62 59.97 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.743 0.306 . . . . 74.219999999999999 110.646 -172.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -150.31 165.04 34.24 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.421 -0.955 . . . . 72.549999999999997 108.421 171.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -146.0 167.48 23.23 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.031 0.443 . . . . 74.530000000000001 111.164 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -137.52 128.33 27.14 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.788 -0.642 . . . . 73.430000000000007 109.631 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.5 mt -102.82 133.2 48.28 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 107.783 -1.191 . . . . 73.030000000000001 107.783 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.507 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 42.4 t-20 -75.21 93.31 2.81 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 109.329 -0.619 . . . . 72.310000000000002 109.329 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.94 -35.95 82.82 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.088 0.955 . . . . 73.129999999999995 112.413 -174.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -64.09 -43.43 95.42 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 124.164 0.915 . . . . 73.120000000000005 111.8 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.8 tp -79.2 -25.48 42.72 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.587 -0.278 . . . . 71.200000000000003 111.335 -178.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 18.1 mt -82.67 -18.05 42.38 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 111.847 0.314 . . . . 73.140000000000001 111.847 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 19.2 t70 -68.85 -42.32 77.24 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 109.339 -0.615 . . . . 64.030000000000001 109.339 169.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -75.3 -30.98 60.54 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.812 0.695 . . . . 72.010000000000005 111.529 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.99 84.78 Favored 'General case' 0 CA--C 1.519 -0.212 0 O-C-N 123.695 0.622 . . . . 52.310000000000002 111.469 177.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 9.4 t70 -79.16 -31.91 44.1 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.332 -0.849 . . . . 74.439999999999998 110.353 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 38' ' ' ASP . 6.1 tt -61.95 -46.81 87.66 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.392 1.077 . . . . 54.200000000000003 110.664 177.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.55 79.1 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.407 -0.815 . . . . 74.510000000000005 111.007 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.93 -34.0 77.12 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.481 0.488 . . . . 61.109999999999999 112.139 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 41' ' ' ASP . 13.6 mm-40 -75.65 -22.15 57.03 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.509 -0.314 . . . . 71.340000000000003 111.363 175.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.25 6.81 35.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 122.741 0.417 . . . . 74.420000000000002 111.845 174.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.0 t70 68.36 28.25 6.24 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 125.492 1.517 . . . . 72.099999999999994 111.326 177.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -115.47 137.12 22.92 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.51 -0.768 . . . . 72.200000000000003 109.837 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -68.41 133.28 27.72 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.132 1.888 . . . . 73.530000000000001 112.111 171.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -108.35 136.06 48.61 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.68 -0.489 . . . . 73.010000000000005 109.68 177.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -143.36 142.78 31.4 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.25 -0.648 . . . . 72.150000000000006 109.25 172.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.2 t -153.78 128.69 9.52 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.652 -0.87 . . . . 61.100000000000001 108.652 -174.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.77 16.39 14.18 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 116.157 -0.474 . . . . 64.109999999999999 111.543 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -83.12 168.58 16.72 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.25 -1.019 . . . . 74.040000000000006 108.25 169.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -69.89 147.61 50.06 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.012 0.434 . . . . 70.319999999999993 110.42 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.0 p -126.22 -26.75 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-O 121.239 0.542 . . . . 73.120000000000005 110.166 174.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.458 HD21 HD22 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -130.15 129.82 43.97 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.993 -0.548 . . . . 73.329999999999998 110.877 -176.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.73 97.78 5.29 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.271 -1.011 . . . . 74.400000000000006 108.271 168.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.48 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -101.93 121.99 53.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 113.981 -1.463 . . . . 73.340000000000003 108.963 -172.689 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -111.32 134.8 52.64 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 120.369 -0.532 . . . . 74.340000000000003 109.9 -177.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.9 t -133.0 159.27 40.5 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.917 -0.771 . . . . 61.399999999999999 108.917 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.1 mt -105.63 106.69 17.31 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.659 -0.867 . . . . 74.200000000000003 108.659 171.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.462 ' O ' HG22 ' A' ' 66' ' ' THR . 36.9 t70 -98.77 101.64 13.11 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.323 -0.621 . . . . 72.200000000000003 109.323 -177.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.72 -98.03 1.39 Allowed Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 108.927 -1.669 . . . . 71.400000000000006 108.927 -164.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -134.35 3.33 3.35 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 123.801 0.354 . . . . 73.400000000000006 111.506 172.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.462 HG22 ' O ' ' A' ' 63' ' ' ASP . 6.6 t -89.6 149.8 22.67 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.953 0.406 . . . . 74.109999999999999 110.523 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -93.04 106.08 18.09 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.083 -0.71 . . . . 74.030000000000001 109.083 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -108.65 115.45 30.12 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.662 -0.496 . . . . 73.510000000000005 109.662 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.476 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -108.85 143.98 37.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.424 -0.807 . . . . 52.310000000000002 109.585 176.775 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.48 ' HB2' HG23 ' A' ' 59' ' ' VAL . 14.8 m-90 -117.5 129.86 56.08 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.829 -0.804 . . . . 75.439999999999998 108.829 177.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 23.7 mtm180 -104.19 117.82 35.16 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.981 -0.748 . . . . 73.329999999999998 108.981 173.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -104.26 139.12 39.73 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 108.653 -0.869 . . . . 70.049999999999997 108.653 175.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 76.4 p -82.97 158.89 22.37 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 123.64 0.588 . . . . 72.510000000000005 109.883 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -68.06 -28.39 67.33 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.808 -0.633 . . . . 65.439999999999998 110.82 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -71.37 -31.31 67.18 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.506 0.722 . . . . 73.319999999999993 110.779 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.89 -24.15 44.35 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 123.545 0.528 . . . . 73.200000000000003 111.616 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.06 -26.89 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 122.975 0.51 . . . . 73.439999999999998 110.46 173.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.4 mmt -68.65 -41.07 79.86 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.064 -0.516 . . . . 70.430000000000007 112.196 173.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -89.85 -0.54 57.62 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.635 0.606 . . . . 71.230000000000004 112.635 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.54 120.28 7.48 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 123.739 0.816 . . . . 65.040000000000006 111.531 -176.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -76.41 126.55 86.18 Favored Pre-proline 0 C--O 1.239 0.532 0 CA-C-N 114.783 -1.099 . . . . 72.019999999999996 111.228 -168.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -72.25 114.53 4.01 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 121.88 1.72 . . . . 74.030000000000001 111.39 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -83.7 160.03 21.39 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.416 -0.811 . . . . 63.009999999999998 109.933 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.61 -4.85 45.14 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.498 -0.773 . . . . 62.020000000000003 111.916 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -74.56 -24.93 59.01 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.399 -0.364 . . . . 72.420000000000002 110.81 169.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.86 -15.31 21.42 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 114.808 0.683 . . . . 70.439999999999998 114.808 177.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -116.38 -34.04 4.74 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 117.554 0.677 . . . . 74.140000000000001 110.681 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.5 m -81.51 144.74 31.11 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.515 -0.766 . . . . 75.150000000000006 110.445 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.429 ' CD1' HD13 ' A' ' 10' ' ' LEU . 82.3 m95 -127.24 150.94 49.32 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.359 -0.978 . . . . 73.150000000000006 108.359 176.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -102.43 100.06 10.16 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.678 -0.49 . . . . 74.549999999999997 109.678 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.73 99.75 12.58 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.411 -0.813 . . . . 73.340000000000003 108.939 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 p -83.81 134.38 34.72 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.67 -0.695 . . . . 74.140000000000001 109.909 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.5 p -133.25 -179.02 5.25 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.298 -0.865 . . . . 73.319999999999993 110.947 -174.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.88 -17.38 80.17 Favored Glycine 0 CA--C 1.523 0.585 0 CA-C-N 115.908 -0.587 . . . . 54.530000000000001 111.776 171.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -81.52 -43.12 19.21 Favored 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 122.879 0.471 . . . . 62.140000000000001 110.981 173.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 167.21 -106.87 0.27 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.145 -0.55 . . . . 62.119999999999997 112.22 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.85 137.1 16.54 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.088 0.47 . . . . 70.140000000000001 110.374 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -126.35 134.9 50.96 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.518 -0.765 . . . . 71.219999999999999 109.587 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.543 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 15.1 tt0 -83.55 104.01 13.34 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.013 -0.736 . . . . 75.120000000000005 109.013 175.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.9 mt -92.31 106.51 18.5 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 108.648 -0.871 . . . . 50.420000000000002 108.648 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -109.16 119.68 40.26 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-O 121.446 0.641 . . . . 73.310000000000002 109.308 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 85.8 m -82.2 125.56 31.06 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 114.099 -1.409 . . . . 25.010000000000002 108.703 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.8 mt -122.7 -177.39 3.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.18 -0.918 . . . . 74.109999999999999 110.55 -175.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -166.39 151.09 19.08 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 120.555 -0.831 . . . . 64.010000000000005 112.083 -158.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 83.25 10.96 0.5 Allowed 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 126.301 1.84 . . . . 72.129999999999995 111.244 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.8 t -108.1 62.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 106.217 -1.772 . . . . 75.019999999999996 106.217 170.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.9 m -62.13 -26.44 68.31 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 114.041 -1.436 . . . . 64.230000000000004 112.857 -170.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.7 86.76 5.27 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.093 -0.706 . . . . 34.329999999999998 109.093 165.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.9 m -78.02 -37.17 47.63 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.309 -0.86 . . . . 72.430000000000007 109.797 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -116.74 -175.73 17.67 Favored Glycine 0 N--CA 1.428 -1.857 0 CA-C-N 114.969 -1.014 . . . . 70.109999999999999 110.642 172.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -102.83 1.3 33.9 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 118.788 -0.625 . . . . 65.420000000000002 111.716 -176.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.2 t70 72.35 111.2 0.06 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.52 1.528 . . . . 73.310000000000002 112.197 174.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 . . . . . 0 C--O 1.242 0.684 0 CA-C-N 116.038 -0.528 . . . . 75.239999999999995 111.331 178.707 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.202 0 N-CA-C 111.467 -0.653 . . . . 52.329999999999998 111.467 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -88.57 -168.95 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.878 -0.415 . . . . 74.209999999999994 109.878 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -76.03 -17.21 59.77 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 121.339 0.59 . . . . 74.540000000000006 110.21 176.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 90.7 mtp -96.55 144.11 26.93 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 116.115 -0.493 . . . . 64.209999999999994 110.265 171.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 p -115.61 -45.4 2.9 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.542 -0.754 . . . . 73.109999999999999 110.534 171.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.3 m -88.45 97.41 11.05 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.626 -0.715 . . . . 64.540000000000006 110.551 176.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -87.99 106.0 17.84 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.264 -0.88 . . . . 74.219999999999999 110.287 174.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -114.9 74.41 0.88 Allowed 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 108.568 -0.901 . . . . 72.239999999999995 108.568 167.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.531 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 76.6 m-85 -99.25 167.94 10.35 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 106.248 -1.76 . . . . 71.200000000000003 106.248 165.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.56 HD13 ' CD1' ' A' ' 89' ' ' TRP . 48.2 tp -63.6 -24.84 67.96 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.477 0.486 . . . . 71.540000000000006 111.138 176.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.0 tp -66.88 -33.85 76.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.331 -0.85 . . . . 72.030000000000001 112.437 177.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -82.01 -24.25 35.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.312 0.577 . . . . 74.239999999999995 109.999 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 10.8 mm-40 -81.73 -33.05 31.29 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.442 -0.799 . . . . 61.32 112.181 -174.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.569 HD13 HD22 ' A' ' 32' ' ' LEU . 2.4 pp -71.89 -22.49 61.49 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.419 0.526 . . . . 64.310000000000002 112.419 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -76.39 -23.98 54.09 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.964 -0.562 . . . . 61.25 112.073 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.5 p -110.8 17.63 20.38 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.848 0.356 . . . . 44.5 111.029 176.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.82 121.2 33.22 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.373 0.606 . . . . 53.340000000000003 110.899 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -82.89 -52.51 6.65 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.563 -0.902 . . . . 74.349999999999994 108.563 171.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 30.5 ttp -113.17 143.19 44.8 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.319 -1.31 . . . . 74.329999999999998 108.301 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.3 144.94 50.95 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.353 -0.61 . . . . 63.399999999999999 109.353 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 86.0 mt-10 -113.03 153.17 28.53 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 116.329 -0.396 . . . . 73.099999999999994 110.102 174.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.513 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 13.9 tt -146.57 98.59 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-O 122.398 1.094 . . . . 73.239999999999995 110.496 170.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.1 t70 60.64 43.95 12.02 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 113.956 -1.474 . . . . 62.32 111.122 175.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.16 -23.45 34.59 Favored Glycine 0 C--N 1.334 0.464 0 CA-C-N 115.046 -0.979 . . . . 53.240000000000002 112.822 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 mp -87.96 126.78 35.25 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-O 120.98 0.419 . . . . 74.439999999999998 110.841 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -89.16 110.37 21.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.308 -0.405 . . . . 74.140000000000001 111.047 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.83 116.68 12.5 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.208 0.528 . . . . 75.129999999999995 109.886 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.4 p-90 -84.94 -24.71 28.26 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.301 -0.863 . . . . 75.450000000000003 110.564 -172.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -150.1 136.24 18.74 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 108.248 -1.019 . . . . 75.219999999999999 108.248 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -138.78 154.38 48.5 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.854 -0.612 . . . . 74.019999999999996 111.032 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -108.04 147.74 30.74 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.315 -0.857 . . . . 61.439999999999998 109.565 178.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.569 HD22 HD13 ' A' ' 14' ' ' LEU . 57.2 mt -123.5 138.02 54.66 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 114.908 -1.042 . . . . 62.539999999999999 108.528 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.513 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 37.5 t-20 -81.07 91.06 6.04 Favored 'General case' 0 C--O 1.224 -0.288 0 N-CA-C 108.405 -0.961 . . . . 55.009999999999998 108.405 176.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -74.13 -25.48 59.79 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 124.086 0.866 . . . . 74.409999999999997 111.27 -172.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.477 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 25.4 m-80 -67.17 -44.42 79.77 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 123.844 0.715 . . . . 74.299999999999997 111.173 173.074 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.3 tp -74.16 -25.01 59.49 Favored 'General case' 0 C--O 1.221 -0.422 0 O-C-N 123.82 0.7 . . . . 64.510000000000005 111.118 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 69.2 mt -83.24 -21.75 33.29 Favored 'General case' 0 C--O 1.223 -0.32 0 O-C-N 123.413 0.446 . . . . 62.409999999999997 111.564 176.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -70.71 -38.54 73.64 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 109.317 -0.623 . . . . 74.150000000000006 109.317 171.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 35' ' ' ASN . 63.6 mt-30 -74.98 -29.41 60.89 Favored 'General case' 0 C--O 1.225 -0.203 0 O-C-N 124.296 0.998 . . . . 73.510000000000005 111.042 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.6 77.79 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 122.714 0.406 . . . . 75.420000000000002 111.206 177.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 25.9 t70 -77.81 -29.72 50.86 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.431 -0.804 . . . . 74.420000000000002 110.844 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.82 -46.04 92.08 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.538 1.135 . . . . 43.100000000000001 110.156 173.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.78 -36.27 75.6 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 115.114 -0.948 . . . . 71.120000000000005 110.795 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.89 -23.38 62.27 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.186 0.439 . . . . 64.329999999999998 112.186 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 41' ' ' ASP . 49.2 mt-10 -74.44 -27.82 60.77 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 122.87 0.468 . . . . 55.210000000000001 111.123 171.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.24 3.73 54.1 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.05 0.54 . . . . 43.439999999999998 112.08 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 67.9 27.01 7.39 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 123.029 1.395 . . . . 65.319999999999993 111.035 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -109.67 123.59 36.01 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 115.454 -0.794 . . . . 74.019999999999996 109.49 -176.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.21 124.69 15.3 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.466 2.111 . . . . 64.239999999999995 111.945 172.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.408 ' HD2' ' CZ ' ' A' ' 74' ' ' TYR . 45.7 t80 -93.29 130.48 39.0 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.645 -0.707 . . . . 74.349999999999994 110.013 -176.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -132.43 130.31 40.42 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.659 -0.701 . . . . 73.010000000000005 110.379 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -146.48 148.16 31.95 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.276 -1.009 . . . . 45.140000000000001 108.276 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -107.9 12.5 27.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.594 0.235 . . . . 64.109999999999999 111.052 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.52 168.65 18.02 Favored 'General case' 0 N--CA 1.462 0.126 0 N-CA-C 109.151 -0.685 . . . . 44.039999999999999 109.151 174.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 8.9 p-90 -68.95 152.55 45.13 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 120.921 0.391 . . . . 73.409999999999997 110.672 -176.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 p -135.15 -24.8 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 CA-C-O 120.975 0.416 . . . . 73.329999999999998 111.36 176.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.8 tp -142.06 124.0 15.31 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.904 0.383 . . . . 53.43 110.929 -172.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.56 99.85 6.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.387 -0.824 . . . . 63.329999999999998 109.797 174.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -99.96 113.8 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.9 0.381 . . . . 72.25 110.934 -174.092 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -101.0 118.93 37.97 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.726 0.774 . . . . 74.329999999999998 109.827 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t -119.54 145.51 46.3 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 114.305 -1.316 . . . . 71.129999999999995 109.205 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.6 mt -103.79 116.01 31.51 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.89 -0.324 . . . . 34.020000000000003 110.748 -176.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.496 ' O ' ' HB ' ' A' ' 66' ' ' THR . 29.5 t70 -115.21 97.25 6.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.41 0.624 . . . . 53.210000000000001 109.444 175.049 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.22 -116.92 4.49 Favored Glycine 0 N--CA 1.441 -1.001 0 N-CA-C 110.398 -1.081 . . . . 53.140000000000001 110.398 -172.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -115.41 16.22 16.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.724 0.773 . . . . 74.530000000000001 109.103 169.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.496 ' HB ' ' O ' ' A' ' 63' ' ' ASP . 3.2 m -87.42 128.05 35.21 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.434 -1.257 . . . . 73.329999999999998 111.0 -178.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -94.16 100.3 12.41 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.887 -1.051 . . . . 73.409999999999997 108.533 172.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -108.84 116.13 31.41 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.95 -0.568 . . . . 72.120000000000005 109.481 -175.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 38.2 tt0 -119.08 133.2 55.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.048 0.451 . . . . 72.439999999999998 110.714 -177.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 23.3 m-90 -108.88 124.88 51.34 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.754 -0.657 . . . . 54.240000000000002 109.275 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -107.96 119.17 38.7 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.513 0.673 . . . . 74.430000000000007 109.699 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -108.79 148.85 29.92 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.168 -0.924 . . . . 74.409999999999997 111.105 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.4 m -75.05 156.93 35.61 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 114.928 -1.033 . . . . 73.340000000000003 109.73 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.408 ' CZ ' ' HD2' ' A' ' 50' ' ' PHE . 63.7 t80 -60.93 -37.5 82.53 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.851 0.86 . . . . 73.230000000000004 110.085 175.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -25.69 64.98 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 124.276 0.985 . . . . 52.240000000000002 112.102 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.07 -34.68 43.47 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 121.121 0.486 . . . . 73.200000000000003 110.975 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.9 t -76.55 -24.6 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-N 115.624 -0.717 . . . . 62.350000000000001 111.204 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mmt -75.24 -38.83 60.41 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.189 -0.46 . . . . 74.219999999999999 111.815 175.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -81.71 -3.67 54.29 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.528 0.566 . . . . 74.129999999999995 112.528 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.93 117.37 6.31 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.366 0.603 . . . . 41.329999999999998 111.934 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -84.92 131.85 47.72 Favored Pre-proline 0 N--CA 1.439 -1.008 0 CA-C-N 114.424 -1.262 . . . . 74.420000000000002 110.776 -173.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -64.87 131.92 30.71 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 121.804 1.669 . . . . 63.030000000000001 111.709 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -88.88 173.15 8.67 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.772 -0.649 . . . . 62.130000000000003 111.641 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.51 -7.92 56.99 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.434 -0.803 . . . . 61.020000000000003 111.531 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -74.86 -23.02 58.36 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 114.923 -1.035 . . . . 73.200000000000003 110.703 171.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.44 -13.69 39.22 Favored Glycine 0 C--N 1.342 0.908 0 N-CA-C 114.747 0.659 . . . . 64.439999999999998 114.747 175.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -123.06 -30.04 3.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.02 0.41 . . . . 65.230000000000004 110.853 -177.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.6 m -86.44 151.89 23.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 73.209999999999994 111.436 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.56 ' CD1' HD13 ' A' ' 10' ' ' LEU . 72.0 m95 -126.81 146.95 50.06 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.873 -0.603 . . . . 61.32 110.487 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -95.54 99.78 11.62 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.858 -0.61 . . . . 72.299999999999997 110.62 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.42 106.04 18.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.976 -1.011 . . . . 74.409999999999997 108.996 177.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.1 p -110.33 110.27 21.01 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.501 0.667 . . . . 62.119999999999997 112.058 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 81.5 p -102.27 -173.27 2.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.022 -0.99 . . . . 70.040000000000006 109.953 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.77 -10.65 83.41 Favored Glycine 0 C--N 1.338 0.653 0 C-N-CA 121.284 -0.484 . . . . 73.0 112.436 172.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -85.66 -45.58 11.56 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.357 0.663 . . . . 71.129999999999995 109.964 177.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.77 -113.88 0.54 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.624 -0.798 . . . . 74.239999999999995 113.22 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -147.1 139.64 24.83 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.935 0.494 . . . . 63.240000000000002 110.677 -171.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -137.63 140.1 40.7 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 108.886 -0.783 . . . . 75.129999999999995 108.886 -178.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.513 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 43.7 tt0 -101.66 98.66 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.981 0.42 . . . . 63.329999999999998 109.934 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.465 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 33.2 mt -94.47 111.59 23.34 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.896 -0.409 . . . . 74.109999999999999 109.896 -179.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -119.59 115.64 24.4 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.704 -0.48 . . . . 64.200000000000003 109.704 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 77.0 m -83.71 122.83 29.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.233 -0.894 . . . . 71.430000000000007 110.974 -177.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 74.1 mt -118.94 158.61 25.39 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.968 -1.015 . . . . 71.319999999999993 111.358 -173.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 79.03 -176.51 54.68 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.889 -0.596 . . . . 74.299999999999997 112.688 -176.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.83 53.15 1.22 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.326 0.584 . . . . 61.409999999999997 110.079 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.2 t -129.34 126.03 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 N-CA-C 107.514 -1.291 . . . . 71.400000000000006 107.514 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.7 t -49.89 130.75 22.07 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 125.252 1.595 . . . . 72.129999999999995 112.022 175.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -111.68 135.73 51.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.183 -0.917 . . . . 73.230000000000004 110.807 -175.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.5 p -147.49 156.64 43.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.536 -0.756 . . . . 71.109999999999999 109.814 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 138.37 116.88 1.48 Allowed Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.582 -0.818 . . . . 72.310000000000002 112.77 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -146.17 -39.56 0.22 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.118 -0.697 . . . . 71.540000000000006 109.118 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -90.76 121.77 32.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.895 -1.048 . . . . 70.219999999999999 109.723 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.245 0.844 0 CA-C-O 118.497 -0.763 . . . . 74.319999999999993 111.512 179.821 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 112.36 -0.296 . . . . 63.299999999999997 112.36 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -95.21 94.71 8.06 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.973 -0.38 . . . . 74.019999999999996 109.973 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.41 70.72 6.02 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 122.188 0.994 . . . . 62.340000000000003 111.14 177.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 54.9 mtt -119.81 139.11 52.85 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 113.803 -1.544 . . . . 73.239999999999995 107.287 169.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.1 p -67.34 -41.25 85.51 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 123.781 0.676 . . . . 64.219999999999999 110.144 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.252 14.6 t 46.54 46.71 14.43 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.647 1.979 . . . . 65.239999999999995 114.349 169.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -76.07 87.4 2.97 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 108.336 -0.987 . . . . 74.439999999999998 108.336 167.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 -102.28 30.74 4.36 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.78 -0.452 . . . . 74.019999999999996 109.78 172.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.534 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 92.7 m-85 -68.63 163.13 24.45 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 124.154 0.909 . . . . 72.109999999999999 109.138 171.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' A' ' 89' ' ' TRP . 62.0 tp -58.55 -25.8 62.87 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 123.788 0.68 . . . . 71.25 112.342 178.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.483 HD11 HD22 ' A' ' 37' ' ' LEU . 65.1 tp -59.15 -39.15 81.53 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.697 0.799 . . . . 71.120000000000005 112.669 173.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -82.52 -31.69 29.07 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.756 0.312 . . . . 72.200000000000003 110.695 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 36.6 mm-40 -69.09 -30.85 69.24 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.333 -0.849 . . . . 73.5 111.941 -176.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.427 HD13 HD22 ' A' ' 32' ' ' LEU . 3.1 pp -74.89 -22.82 58.41 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.728 0.27 . . . . 63.200000000000003 111.728 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -74.09 -33.58 63.68 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.058 -0.519 . . . . 74.409999999999997 111.739 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.9 p -97.82 -3.74 38.21 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.043 -0.526 . . . . 63.149999999999999 111.942 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.25 127.73 33.83 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 122.565 0.346 . . . . 71.540000000000006 111.69 -176.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.18 -57.67 3.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.629 -0.878 . . . . 71.25 108.629 169.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.427 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 63.0 mtm -110.58 154.09 24.23 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.064 -0.971 . . . . 71.25 109.086 176.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.2 tp -132.01 119.13 20.64 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.068 -0.716 . . . . 73.299999999999997 109.068 175.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 11.7 tt0 -105.04 152.31 22.9 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 114.792 -1.095 . . . . 74.239999999999995 110.371 -174.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.592 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 12.8 tt -132.69 107.47 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-O 122.168 0.985 . . . . 71.310000000000002 111.027 174.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.1 t70 54.69 56.79 6.34 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 125.021 1.329 . . . . 61.340000000000003 112.069 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.02 14.91 76.24 Favored Glycine 0 CA--C 1.527 0.784 0 CA-C-N 115.553 -0.749 . . . . 73.549999999999997 113.854 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 tt -132.44 105.71 7.43 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 107.437 -1.319 . . . . 75.340000000000003 107.437 -176.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 28.7 p-80 -82.12 133.53 35.28 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 111.837 0.31 . . . . 71.140000000000001 111.837 -170.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.55 145.48 26.2 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.667 -0.242 . . . . 72.209999999999994 110.373 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 44.3 p-90 -90.9 -25.03 20.02 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.03 0.443 . . . . 62.43 110.116 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -135.57 135.73 40.54 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.861 -0.609 . . . . 73.319999999999993 109.45 -177.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -144.02 146.37 32.84 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.085 -0.961 . . . . 74.310000000000002 109.229 172.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -126.84 147.25 50.05 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.468 -0.787 . . . . 53.439999999999998 109.293 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD22 HD13 ' A' ' 14' ' ' LEU . 35.8 mt -117.72 144.39 45.33 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.257 -0.883 . . . . 61.450000000000003 109.023 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.628 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 48.6 t-20 -79.52 86.96 5.14 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.377 -0.972 . . . . 45.240000000000002 108.377 175.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -28.8 62.05 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.796 -1.093 . . . . 70.430000000000007 112.489 -172.138 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -59.56 -43.59 93.52 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.768 0.827 . . . . 73.109999999999999 111.491 173.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 tp -79.26 -23.44 43.65 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 114.875 -1.057 . . . . 63.109999999999999 111.035 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 20.1 mt -78.92 -28.55 43.89 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 111.995 0.369 . . . . 75.010000000000005 111.995 -179.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -63.73 -41.01 98.12 Favored 'General case' 0 C--O 1.219 -0.551 0 O-C-N 123.531 0.519 . . . . 72.409999999999997 109.726 172.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -71.87 -31.22 66.24 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.651 1.219 . . . . 62.130000000000003 112.416 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.22 -43.01 83.09 Favored 'General case' 0 CA--C 1.513 -0.471 0 O-C-N 123.662 0.601 . . . . 63.049999999999997 111.233 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -78.89 -31.98 45.66 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 124.063 0.852 . . . . 75.230000000000004 111.181 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 tt -56.57 -44.24 80.8 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.57 1.148 . . . . 54.340000000000003 111.047 173.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.65 -39.58 51.8 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 115.575 -0.739 . . . . 73.129999999999995 111.307 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.33 -30.16 69.06 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.663 0.616 . . . . 74.25 112.663 -177.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.44 -23.29 53.93 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 122.432 0.293 . . . . 64.409999999999997 111.503 174.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.31 8.34 27.92 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.387 -0.37 . . . . 74.299999999999997 111.646 174.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.4 t70 67.96 23.23 8.31 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 125.116 1.366 . . . . 62.439999999999998 111.409 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -106.29 129.95 23.72 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.238 -0.892 . . . . 75.019999999999996 110.019 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -64.7 131.42 29.33 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.779 2.319 . . . . 62.25 112.545 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -112.89 120.29 40.92 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.692 -0.484 . . . . 74.200000000000003 109.692 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.59 132.35 37.03 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.727 -0.472 . . . . 72.129999999999995 109.727 172.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -140.94 141.36 34.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.404 -0.816 . . . . 74.099999999999994 109.418 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -95.13 12.58 28.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.937 0.347 . . . . 63.43 111.937 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -81.65 164.99 21.43 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.439 -0.949 . . . . 74.340000000000003 108.439 172.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 10.7 p-90 -66.21 154.3 40.18 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 120.711 0.291 . . . . 73.219999999999999 110.335 -178.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.9 p -135.06 -22.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.215 0.531 . . . . 75.319999999999993 110.519 170.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.65 130.1 43.5 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 116.186 -0.461 . . . . 74.329999999999998 109.925 -174.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.36 108.72 8.87 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.013 -0.736 . . . . 43.310000000000002 109.013 166.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.434 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -104.8 118.45 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.47 -0.332 . . . . 64.209999999999994 110.394 178.057 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -107.9 125.8 51.91 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.159 -0.682 . . . . 74.430000000000007 109.159 173.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -125.85 152.25 45.76 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 115.187 -0.915 . . . . 52.350000000000001 110.407 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -101.48 105.21 16.18 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.818 0.818 . . . . 61.420000000000002 111.622 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.41 ' O ' ' HB ' ' A' ' 66' ' ' THR . 31.4 t70 -100.99 93.19 5.37 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.796 -1.093 . . . . 72.150000000000006 108.368 173.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.04 -102.25 1.9 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.819 -0.912 . . . . 43.229999999999997 110.819 -171.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -114.5 -13.43 12.2 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.316 0.647 . . . . 74.409999999999997 109.751 172.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 63' ' ' ASP . 92.7 m -66.72 114.69 5.81 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.237 1.415 . . . . 61.240000000000002 112.15 -175.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -89.86 99.17 12.23 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.515 -0.92 . . . . 72.310000000000002 108.515 171.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -107.4 124.72 50.26 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.968 -0.382 . . . . 71.230000000000004 109.968 -174.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 21.7 tt0 -112.91 128.34 56.44 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.326 0.584 . . . . 64.140000000000001 110.9 -175.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.434 ' HB2' HG23 ' A' ' 59' ' ' VAL . 20.5 m-90 -110.53 126.31 54.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.206 -0.906 . . . . 71.409999999999997 109.295 173.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -108.37 133.83 52.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.119 0.485 . . . . 65.549999999999997 110.276 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -122.99 136.89 55.03 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 115.261 -0.881 . . . . 74.329999999999998 109.452 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 38.4 m -77.93 161.26 27.69 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.096 0.873 . . . . 72.109999999999999 110.094 175.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -61.62 -36.43 80.73 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 124.023 0.827 . . . . 71.439999999999998 110.583 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -67.76 -34.81 77.53 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.157 -0.928 . . . . 73.340000000000003 111.712 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.23 -36.42 71.84 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.679 0.612 . . . . 55.409999999999997 111.657 177.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.9 t -69.56 -27.41 33.8 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 123.91 0.884 . . . . 52.539999999999999 111.979 175.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.1 mmt -69.65 -41.45 75.55 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.898 -0.137 . . . . 53.32 111.143 174.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -92.1 9.36 33.77 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 113.162 0.801 . . . . 73.230000000000004 113.162 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.33 124.96 24.14 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.069 0.461 . . . . 63.210000000000001 110.459 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.402 ' HB3' ' HB3' ' A' ' 90' ' ' ARG . 16.7 tt0 -79.51 128.73 74.08 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 114.327 -1.306 . . . . 75.519999999999996 111.12 -167.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -75.8 112.39 3.5 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.865 1.71 . . . . 61.43 111.548 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -78.72 166.13 22.82 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.949 -0.76 . . . . 72.230000000000004 108.949 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.53 -12.96 61.9 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.036 0.754 . . . . 74.239999999999995 113.036 -174.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.41 -24.73 59.14 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.514 0.726 . . . . 62.509999999999998 110.873 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.73 -16.37 15.24 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 114.782 0.673 . . . . 71.209999999999994 114.782 175.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 24.8 mt-10 -112.46 -23.17 10.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.357 -0.608 . . . . 62.130000000000003 109.357 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.6 m -85.87 133.57 33.95 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.04 -0.982 . . . . 72.510000000000005 110.301 175.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.531 ' O ' ' HA ' ' A' ' 99' ' ' GLN . 94.2 m95 -120.5 156.02 32.39 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.866 -0.607 . . . . 74.239999999999995 110.038 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.402 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 66.2 ttt180 -111.31 107.86 17.28 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.657 -0.497 . . . . 64.409999999999997 109.657 178.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -96.73 97.25 9.18 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.656 -0.868 . . . . 74.340000000000003 108.656 174.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.0 m -97.54 103.73 15.69 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.188 -0.671 . . . . 75.140000000000001 109.188 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.1 p -105.5 -174.06 2.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.489 -1.232 . . . . 65.310000000000002 110.238 -173.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.87 -19.75 79.75 Favored Glycine 0 C--N 1.342 0.875 0 O-C-N 123.401 0.438 . . . . 65.299999999999997 112.691 173.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -83.71 -47.44 11.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 122.389 0.276 . . . . 72.209999999999994 110.576 175.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.16 -170.45 42.53 Favored Glycine 0 C--N 1.34 0.801 0 N-CA-C 112.179 -0.368 . . . . 74.319999999999993 112.179 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.97 121.6 42.46 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.219 0.533 . . . . 71.430000000000007 110.756 -175.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.46 ' HB3' HD11 ' A' ' 22' ' ' ILE . 91.9 m-85 -117.52 130.66 56.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.191 -0.913 . . . . 62.450000000000003 110.027 -175.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.592 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 26.5 tt0 -92.12 103.89 16.33 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 120.952 -0.299 . . . . 71.230000000000004 111.473 -175.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.1 mt -90.14 111.38 22.5 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.8 -0.76 . . . . 70.219999999999999 109.252 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 13.8 ttp180 -117.93 121.8 41.63 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.281 -0.872 . . . . 64.25 109.176 -176.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 64.0 m -86.98 118.93 26.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.123 0.487 . . . . 45.200000000000003 110.825 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.427 ' HB2' ' HB2' ' A' ' 19' ' ' MET . 1.0 OUTLIER -110.73 136.38 49.88 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 108.548 -0.908 . . . . 64.239999999999995 108.548 -175.345 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 79.65 176.92 49.79 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.431 -0.89 . . . . 54.5 112.704 -177.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -152.62 112.08 3.89 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.811 0.338 . . . . 54.049999999999997 110.532 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.8 t -116.05 87.69 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.394 0 N-CA-C 108.473 -0.936 . . . . 53.530000000000001 108.473 169.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.0 t -165.89 124.54 1.58 Allowed 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 113.523 -1.671 . . . . 72.109999999999999 106.543 174.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.38 -64.53 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.097 -0.705 . . . . 52.5 109.097 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.0 m -145.19 7.95 1.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.842 -1.072 . . . . 75.450000000000003 108.657 169.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 157.88 -137.39 5.29 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 110.027 -1.229 . . . . 63.039999999999999 110.027 -172.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -128.09 -60.63 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 117.235 0.518 . . . . 61.520000000000003 111.378 176.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -140.49 -62.58 0.49 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.653 -0.249 . . . . 75.25 110.653 -176.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.8 -0.619 . . . . 62.340000000000003 110.076 -175.087 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.195 0 CA-C-O 119.513 -0.604 . . . . 53.520000000000003 111.871 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 59.76 -155.54 0.35 Allowed 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 125.339 1.456 . . . . 73.239999999999995 111.638 177.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -103.84 36.79 2.21 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 121.91 0.862 . . . . 71.140000000000001 109.935 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 66.5 mtm -120.24 109.82 15.85 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 121.601 -0.687 . . . . 53.350000000000001 110.702 174.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.5 p -72.09 -58.51 3.37 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.436 -0.802 . . . . 64.439999999999998 110.732 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.2 m -84.62 101.59 12.26 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 108.595 -0.891 . . . . 61.130000000000003 108.595 169.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -65.12 -35.29 80.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.236 -0.893 . . . . 75.230000000000004 111.505 176.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.444 ' HG2' ' OD2' ' A' ' 12' ' ' ASP . 32.3 mtt-85 61.1 75.41 0.41 Allowed 'General case' 0 CA--C 1.507 -0.704 0 O-C-N 125.051 1.469 . . . . 55.210000000000001 110.42 -171.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -72.26 170.76 13.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.88 -1.054 . . . . 64.129999999999995 108.482 172.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 59.8 tp -64.29 -23.61 67.36 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 117.993 0.36 . . . . 54.329999999999998 111.761 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.474 HD22 HD21 ' A' ' 37' ' ' LEU . 80.9 mt -68.68 -41.45 79.22 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 112.116 0.413 . . . . 74.540000000000006 112.116 172.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.444 ' OD2' ' HG2' ' A' ' 8' ' ' ARG . 22.9 t70 -69.88 -29.39 66.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.308 -0.405 . . . . 61.439999999999998 110.493 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.515 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 31.9 mm-40 -65.65 -54.01 33.5 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 123.835 0.854 . . . . 42.509999999999998 112.122 176.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 2.6 pp -69.72 -21.58 63.46 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.103 0.408 . . . . 64.299999999999997 112.103 -178.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -75.12 -31.14 61.04 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 112.955 0.724 . . . . 72.200000000000003 112.955 171.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.587 ' O ' ' HA ' ' A' ' 105' ' ' ALA . 40.2 p -100.56 15.0 29.49 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 121.624 -0.672 . . . . 73.239999999999995 111.234 178.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.02 147.23 52.44 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.04 0.448 . . . . 71.319999999999993 111.998 -176.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -107.39 -35.25 6.83 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.026 -0.988 . . . . 65.140000000000001 109.959 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.442 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 40.8 mtm -97.23 149.99 21.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.449 -0.796 . . . . 61.119999999999997 109.692 176.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.3 tp -152.35 121.45 6.66 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.361 -0.607 . . . . 74.0 109.361 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 36.1 mt-10 -108.46 152.85 24.15 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.278 -0.638 . . . . 54.219999999999999 109.278 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 9.4 tt -141.8 107.29 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-O 121.635 0.731 . . . . 72.140000000000001 111.249 -176.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 t70 60.85 28.58 18.33 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-O 122.389 1.09 . . . . 61.130000000000003 111.229 177.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.1 -9.96 61.63 Favored Glycine 0 CA--C 1.526 0.756 0 O-C-N 121.518 -0.739 . . . . 61.329999999999998 113.654 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 mt -102.45 118.83 37.7 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 109.718 -0.475 . . . . 74.049999999999997 109.718 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -81.67 124.96 30.03 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.041 -0.664 . . . . 75.439999999999998 110.693 -176.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.5 120.36 16.02 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.304 -0.628 . . . . 74.420000000000002 109.304 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.0 p-90 -82.01 -24.08 35.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.744 -0.662 . . . . 74.099999999999994 109.421 -176.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -150.68 135.0 17.04 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 114.804 -1.089 . . . . 65.430000000000007 108.53 173.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -129.48 158.12 40.11 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.276 -0.874 . . . . 64.150000000000006 109.26 171.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -128.72 146.03 51.0 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.307 -0.627 . . . . 75.340000000000003 109.307 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.9 mt -119.48 145.76 46.02 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.704 -0.68 . . . . 74.439999999999998 110.463 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -83.54 93.05 7.75 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.638 -0.875 . . . . 71.430000000000007 108.638 175.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -75.45 -20.97 58.51 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.598 0.592 . . . . 62.229999999999997 112.598 -173.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -67.35 -51.22 54.95 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 123.659 0.599 . . . . 61.109999999999999 110.171 172.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.9 tp -75.66 -23.79 56.29 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.698 -0.683 . . . . 74.319999999999993 111.354 -175.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.474 HD21 HD22 ' A' ' 11' ' ' LEU . 43.1 mt -83.16 -19.61 36.28 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 112.091 0.404 . . . . 74.299999999999997 112.091 175.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.4 -46.84 59.22 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.023 -0.732 . . . . 72.219999999999999 109.023 171.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -72.74 -25.66 61.28 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.935 0.772 . . . . 62.119999999999997 111.562 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.78 -43.01 80.76 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 123.219 0.608 . . . . 41.509999999999998 111.053 175.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.4 -40.61 70.39 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.151 -0.931 . . . . 71.319999999999993 110.71 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.6 tt -55.59 -49.68 72.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.935 1.294 . . . . 65.239999999999995 111.058 177.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.05 -39.15 75.87 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.801 -0.636 . . . . 71.450000000000003 111.399 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.3 -38.75 92.37 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.321 0.388 . . . . 52.399999999999999 111.793 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -65.31 -32.39 74.02 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.546 0.738 . . . . 73.439999999999998 111.131 174.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.92 12.3 9.57 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.953 -0.567 . . . . 74.140000000000001 112.31 177.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t70 71.49 12.55 6.53 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 125.87 1.668 . . . . 72.450000000000003 112.128 174.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -103.45 124.94 36.39 Favored Pre-proline 0 C--N 1.316 -0.88 0 O-C-N 121.658 -0.651 . . . . 74.120000000000005 109.841 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -62.7 125.34 15.86 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 121.831 1.687 . . . . 71.439999999999998 110.89 169.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -87.44 131.03 34.46 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 108.758 -0.83 . . . . 72.120000000000005 108.758 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.33 118.86 20.91 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.481 -0.781 . . . . 74.420000000000002 110.091 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.0 m -142.2 143.48 32.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.442 -0.799 . . . . 63.310000000000002 109.365 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -102.86 15.44 29.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.743 -0.208 . . . . 75.049999999999997 111.356 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.33 170.08 17.03 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 108.773 -0.825 . . . . 74.540000000000006 108.773 172.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -72.69 154.15 40.85 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 109.429 -0.582 . . . . 74.5 109.429 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.7 p -135.55 -26.08 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 C-N-CA 120.347 -0.541 . . . . 71.150000000000006 111.651 174.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.7 tp -141.48 121.71 13.89 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.98 0.419 . . . . 70.409999999999997 110.968 -172.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.26 102.18 9.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.635 -0.711 . . . . 54.039999999999999 109.5 175.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.3 m -101.29 121.72 52.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.119 0.485 . . . . 62.020000000000003 110.176 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -112.6 124.32 52.28 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.242 -0.436 . . . . 64.219999999999999 109.874 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.0 t -122.18 142.11 50.75 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.385 -0.968 . . . . 64.329999999999998 108.385 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.8 mt -79.02 130.5 35.59 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.817 -0.753 . . . . 72.230000000000004 109.207 173.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -123.16 100.26 6.77 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.453 -0.943 . . . . 73.450000000000003 108.453 -175.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.36 -87.66 1.44 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.896 -0.882 . . . . 63.130000000000003 110.896 -171.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.5 ptt-85 -142.46 -0.62 1.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.206 0.602 . . . . 73.319999999999993 111.204 175.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 t -104.26 173.19 6.41 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 110.182 -0.303 . . . . 65.349999999999994 110.182 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.41 124.36 49.48 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.807 0.813 . . . . 75.540000000000006 110.28 176.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -114.04 116.34 29.02 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.548 -1.205 . . . . 70.400000000000006 108.254 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.448 ' OE2' ' HD2' ' A' ' 71' ' ' ARG . 34.6 tt0 -120.06 124.01 44.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.867 0.365 . . . . 61.100000000000001 111.452 -171.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 14.6 m-90 -108.82 129.06 55.39 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 115.53 -0.759 . . . . 73.150000000000006 109.135 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.448 ' HD2' ' OE2' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -112.22 122.73 48.55 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.964 -0.754 . . . . 75.099999999999994 108.964 177.178 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -103.48 130.64 50.89 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 114.799 -1.091 . . . . 70.340000000000003 109.412 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.0 m -68.15 152.63 45.19 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 114.671 -1.15 . . . . 71.340000000000003 109.014 172.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -56.92 -39.35 74.3 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.512 0.725 . . . . 72.510000000000005 110.684 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -65.36 -37.77 88.06 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.937 0.895 . . . . 71.319999999999993 111.952 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.94 -36.45 72.61 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.048 0.539 . . . . 63.509999999999998 111.443 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.412 HG13 HD23 ' A' ' 10' ' ' LEU . 25.5 t -67.28 -30.3 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 123.814 0.846 . . . . 65.349999999999994 112.103 175.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mmt -70.86 -42.13 70.5 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.419 0.288 . . . . 54.0 111.475 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -88.56 6.18 39.24 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.638 0.607 . . . . 74.109999999999999 112.638 -176.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.36 131.96 49.97 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.29 0.567 . . . . 74.299999999999997 111.453 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.468 ' HB3' ' HB3' ' A' ' 90' ' ' ARG . 16.0 tt0 -78.62 124.96 85.14 Favored Pre-proline 0 N--CA 1.441 -0.919 0 CA-C-N 114.115 -1.402 . . . . 72.239999999999995 110.703 -171.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -70.84 131.79 20.38 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 121.609 1.539 . . . . 65.299999999999997 110.846 173.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -98.8 170.46 8.75 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.211 -0.449 . . . . 70.310000000000002 110.114 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.44 -9.76 58.89 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.169 0.509 . . . . 62.539999999999999 111.742 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.65 -24.38 45.26 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.589 -0.732 . . . . 63.409999999999997 110.646 175.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.36 -18.4 4.44 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 115.502 0.961 . . . . 65.409999999999997 115.502 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 41.0 mt-10 -110.65 -27.74 8.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 118.134 0.967 . . . . 73.25 109.626 177.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.9 m -85.46 143.46 28.55 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.2 -0.909 . . . . 73.310000000000002 110.577 177.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.521 ' O ' ' HA ' ' A' ' 99' ' ' GLN . 82.3 m95 -131.76 150.14 52.25 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 115.605 -0.725 . . . . 73.230000000000004 110.197 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.468 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 53.6 ttt180 -108.26 99.39 8.81 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.104 0.478 . . . . 73.540000000000006 109.927 -176.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.404 HD21 ' CD2' ' A' ' 10' ' ' LEU . 3.7 mm? -91.65 100.6 13.3 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-N 115.264 -0.88 . . . . 53.32 109.986 178.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.8 m -101.62 110.07 21.99 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.953 0.882 . . . . 61.450000000000003 109.499 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 82.8 p -109.83 -172.05 1.96 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 113.541 -1.663 . . . . 74.019999999999996 110.295 -172.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.4 -5.35 89.85 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-N 116.359 -0.382 . . . . 64.519999999999996 112.472 171.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -92.01 -46.46 7.79 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.079 0.552 . . . . 75.510000000000005 109.991 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.15 -128.17 1.43 Allowed Glycine 0 C--O 1.22 -0.753 0 C-N-CA 121.244 -0.503 . . . . 75.409999999999997 112.931 -179.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -140.8 119.83 12.77 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 123.323 0.649 . . . . 72.310000000000002 109.41 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.454 ' HB3' ' CG1' ' A' ' 22' ' ' ILE . 69.0 m-85 -122.48 122.94 40.12 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 122.912 0.485 . . . . 71.129999999999995 110.176 -173.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' A' ' 89' ' ' TRP . 17.0 tt0 -94.45 108.2 20.14 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.384 -0.526 . . . . 61.43 111.532 -174.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.474 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 49.4 mt -92.44 109.76 21.16 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.383 -0.372 . . . . 75.219999999999999 111.068 -178.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 33.1 ttp180 -112.44 115.41 28.64 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.603 0.716 . . . . 74.120000000000005 109.981 178.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 14.7 m -90.58 125.25 35.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.239 -1.346 . . . . 52.240000000000002 111.161 -174.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 19' ' ' MET . 2.9 mt -124.72 161.69 25.83 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 109.118 -0.697 . . . . 64.439999999999998 109.118 176.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.48 -173.17 36.86 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.753 -0.737 . . . . 40.329999999999998 112.404 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.587 ' HA ' ' O ' ' A' ' 16' ' ' THR . . . -152.03 36.32 0.54 Allowed 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.016 0.747 . . . . 61.240000000000002 113.016 -175.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.6 t -138.91 112.92 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.818 -0.551 . . . . 70.120000000000005 111.131 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.0 148.2 8.44 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 124.687 1.242 . . . . 60.009999999999998 110.116 163.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -146.58 111.12 5.19 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.141 -0.482 . . . . 72.420000000000002 110.667 176.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.3 m -121.6 142.19 50.36 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 122.578 0.351 . . . . 55.32 110.643 175.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.9 68.81 0.1 Allowed Glycine 0 CA--C 1.509 -0.332 0 C-N-CA 121.002 -0.618 . . . . 43.310000000000002 111.955 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -139.14 19.86 2.61 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.408 0.521 . . . . 62.409999999999997 112.408 -175.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -157.1 127.9 6.66 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 121.044 -0.262 . . . . 63.109999999999999 111.473 -173.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--O 1.245 0.818 0 CA-C-O 118.663 -0.684 . . . . 55.43 111.592 -176.801 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 112.024 -0.431 . . . . 72.319999999999993 112.024 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 p -89.29 61.39 5.68 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.494 0.664 . . . . 73.439999999999998 111.528 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.76 -29.62 51.1 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.933 -0.576 . . . . 73.109999999999999 109.913 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 72.5 mtm -84.5 106.8 16.35 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.054 -1.091 . . . . 63.049999999999997 108.054 166.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -19.17 54.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.072 -0.967 . . . . 74.25 111.281 -174.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.9 m -87.13 101.57 13.62 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 108.987 -0.746 . . . . 64.400000000000006 108.987 170.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -77.32 96.75 4.68 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.812 0.695 . . . . 74.530000000000001 110.526 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -101.7 82.61 2.3 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 108.949 -0.76 . . . . 63.310000000000002 108.949 -176.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -99.85 166.19 11.2 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 113.853 -1.521 . . . . 74.109999999999999 108.678 175.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.8 tp -68.4 -32.36 72.35 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.222 -0.659 . . . . 74.209999999999994 109.222 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.464 HD11 HD22 ' A' ' 37' ' ' LEU . 63.5 tp -61.12 -35.71 77.77 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 124.548 1.155 . . . . 72.530000000000001 111.952 174.115 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -70.82 -41.1 71.99 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.118 0.567 . . . . 61.340000000000003 111.156 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -80.41 -31.52 37.62 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 113.822 1.045 . . . . 75.140000000000001 113.822 -170.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -69.59 -21.81 63.57 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.329 0.492 . . . . 75.230000000000004 112.329 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.97 -36.77 75.48 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.795 -0.639 . . . . 73.099999999999994 111.757 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 105' ' ' ALA . 17.2 p -107.2 -11.03 15.69 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.53 0.937 . . . . 74.129999999999995 113.53 -172.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.03 163.25 27.33 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.309 0.576 . . . . 72.510000000000005 112.127 -176.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -119.24 -42.83 2.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.311 -0.859 . . . . 54.539999999999999 109.71 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.0 ttp -112.89 130.54 56.07 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.527 -0.76 . . . . 72.049999999999997 109.351 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.9 tp -131.47 117.3 18.63 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.141 -0.688 . . . . 75.349999999999994 109.141 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 25.8 mt-10 -98.06 154.83 17.45 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.566 -0.743 . . . . 60.310000000000002 110.535 -175.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.624 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 14.9 tt -134.11 107.74 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 CA-C-O 122.253 1.025 . . . . 72.230000000000004 110.569 176.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.432 ' HA ' ' HB3' ' A' ' 99' ' ' GLN . 21.7 t70 61.82 28.82 17.69 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 125.252 1.421 . . . . 72.310000000000002 111.064 -177.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.68 -10.02 66.48 Favored Glycine 0 C--N 1.335 0.525 0 CA-C-N 115.77 -0.65 . . . . 60.140000000000001 113.058 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -95.39 108.31 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.984 -1.117 . . . . 75.129999999999995 107.984 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 30.6 p-80 -75.15 144.0 42.99 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.042 0.214 . . . . 71.439999999999998 110.956 -175.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.19 140.14 34.86 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.012 -0.366 . . . . 63.109999999999999 110.012 175.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -80.44 -26.8 38.16 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.638 0.586 . . . . 74.349999999999994 110.153 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -141.14 134.78 30.12 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 114.718 -1.128 . . . . 75.040000000000006 108.558 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 22.1 p90 -129.75 138.19 50.96 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 108.237 -1.023 . . . . 75.420000000000002 108.237 170.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.427 ' HB3' ' H ' ' A' ' 111' ' ' GLU . 8.6 mt-10 -116.84 145.36 43.61 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 114.993 -1.003 . . . . 53.030000000000001 110.201 -173.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.5 mt -115.93 148.7 39.77 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.211 -0.904 . . . . 73.409999999999997 109.24 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.455 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 45.8 t-20 -84.4 103.89 13.95 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.861 -1.163 . . . . 73.299999999999997 107.861 174.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -68.56 -43.46 76.54 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.619 1.199 . . . . 72.200000000000003 111.924 -167.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -71.78 -37.67 70.43 Favored 'General case' 0 C--O 1.225 -0.214 0 O-C-N 123.994 0.809 . . . . 72.319999999999993 111.75 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.5 tp -75.56 -25.38 57.05 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.584 0.552 . . . . 74.120000000000005 111.122 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.464 HD22 HD11 ' A' ' 11' ' ' LEU . 36.9 mt -83.07 -20.65 34.53 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 112.338 0.496 . . . . 73.439999999999998 112.338 178.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.37 -41.48 84.97 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.925 0.766 . . . . 65.340000000000003 109.357 170.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -74.14 -30.26 62.2 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 115.175 -0.92 . . . . 64.140000000000001 110.847 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.84 89.98 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 123.293 0.637 . . . . 63.43 111.865 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -79.05 -30.32 44.01 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 115.629 -0.714 . . . . 44.210000000000001 110.661 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.55 -48.68 80.72 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.339 1.056 . . . . 74.439999999999998 110.664 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.7 -37.31 70.68 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.958 0.786 . . . . 52.240000000000002 111.322 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.86 -35.94 82.73 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 123.461 0.476 . . . . 45.219999999999999 112.099 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -76.95 -13.3 59.99 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.111 0.564 . . . . 73.010000000000005 112.072 176.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.54 15.78 25.43 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.538 0.335 . . . . 70.530000000000001 110.904 173.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.0 t70 77.86 -4.59 2.22 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 126.001 1.72 . . . . 72.099999999999994 112.555 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -87.71 140.02 31.41 Favored Pre-proline 0 C--N 1.322 -0.608 0 O-C-N 121.376 -0.828 . . . . 63.219999999999999 111.121 -175.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -71.85 126.13 11.66 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 121.692 1.594 . . . . 74.319999999999993 110.105 164.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.421 ' HD2' ' CE2' ' A' ' 74' ' ' TYR . 50.3 t80 -80.72 136.11 36.11 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.514 -0.55 . . . . 73.239999999999995 109.514 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -125.43 124.85 42.34 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.79 -0.641 . . . . 75.319999999999993 110.098 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.9 t -147.62 140.65 25.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.17 0.509 . . . . 53.210000000000001 110.256 173.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -104.83 8.06 34.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.591 -0.731 . . . . 73.209999999999994 110.933 178.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.47 166.79 16.04 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.325 -0.991 . . . . 74.030000000000001 108.325 174.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 6.3 p-90 -67.53 153.15 44.36 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-O 121.022 0.439 . . . . 74.019999999999996 111.047 -175.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.92 -23.74 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-O 121.029 0.442 . . . . 62.210000000000001 111.363 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.501 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 0.9 OUTLIER -130.89 125.64 34.06 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 109.618 -0.512 . . . . 73.040000000000006 109.618 -169.873 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.444 ' O ' ' HA ' ' A' ' 30' ' ' PHE . . . -127.41 106.66 9.35 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 123.288 0.368 . . . . 72.140000000000001 110.695 174.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.26 106.1 19.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 109.557 -0.535 . . . . 73.129999999999995 109.557 176.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -101.69 132.31 47.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.452 -0.573 . . . . 73.230000000000004 109.452 176.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.1 t -137.75 134.76 35.67 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.019 -0.991 . . . . 71.319999999999993 109.882 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.49 ' HA ' ' O ' ' A' ' 66' ' ' THR . 9.1 mp -79.43 111.33 15.58 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.314 -0.624 . . . . 65.109999999999999 109.314 171.267 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -103.85 97.78 7.73 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.249 -1.019 . . . . 41.119999999999997 108.249 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.09 -89.96 1.39 Allowed Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.312 -1.115 . . . . 65.409999999999997 110.312 -168.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -133.68 -6.52 2.84 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 122.497 0.319 . . . . 72.040000000000006 111.419 175.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 15.0 t -95.28 145.1 25.32 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 121.081 0.467 . . . . 74.420000000000002 111.788 -173.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -90.09 101.16 13.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.337 0.589 . . . . 74.109999999999999 109.65 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -97.56 115.13 27.26 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.046 -0.979 . . . . 65.430000000000007 109.248 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -117.26 133.12 56.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.639 -0.71 . . . . 71.310000000000002 110.62 -176.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 20.7 m-90 -112.97 123.63 50.77 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.467 -0.938 . . . . 71.200000000000003 108.467 171.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.501 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 15.3 mtm180 -116.82 124.88 50.63 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-O 121.657 0.741 . . . . 72.140000000000001 111.071 176.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -110.35 150.02 29.39 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-N 114.15 -1.386 . . . . 74.239999999999995 110.428 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.8 p -78.11 164.76 24.72 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 124.196 0.935 . . . . 64.25 110.001 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.421 ' CE2' ' HD2' ' A' ' 50' ' ' PHE . 91.0 t80 -66.03 -39.94 90.61 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.923 0.764 . . . . 54.340000000000003 112.08 -175.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -76.68 -18.29 58.63 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 112.766 0.654 . . . . 73.140000000000001 112.766 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.38 -32.28 71.21 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 123.437 0.461 . . . . 72.140000000000001 110.607 170.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.0 t -76.39 -28.13 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 123.434 0.694 . . . . 71.319999999999993 110.804 172.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.4 mmt -67.15 -42.69 83.94 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 122.471 0.308 . . . . 73.299999999999997 111.37 175.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -90.48 7.69 37.6 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 123.563 0.54 . . . . 75.549999999999997 112.454 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.05 124.76 21.43 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 123.514 0.509 . . . . 70.120000000000005 111.01 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.435 ' OE1' ' HD3' ' A' ' 90' ' ' ARG . 36.2 mt-10 -92.5 122.13 64.97 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.044 -0.98 . . . . 71.129999999999995 110.686 -171.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -70.89 115.04 4.08 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 122.272 1.981 . . . . 53.219999999999999 111.667 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -74.88 172.75 11.68 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.491 -0.777 . . . . 75.049999999999997 110.529 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.08 -4.93 41.41 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.752 -0.658 . . . . 73.329999999999998 112.38 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -76.54 -23.98 53.62 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.961 0.504 . . . . 73.200000000000003 111.231 173.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.45 -15.13 36.78 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 115.054 0.781 . . . . 74.329999999999998 115.054 176.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -120.68 -10.25 9.22 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 117.874 0.837 . . . . 73.140000000000001 109.543 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.5 t -99.03 146.92 25.55 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.402 -0.817 . . . . 74.400000000000006 110.601 -174.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -131.57 142.09 49.83 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.578 -0.737 . . . . 71.420000000000002 110.462 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HD3' ' OE1' ' A' ' 81' ' ' GLU . 34.3 ttt180 -97.1 107.16 19.63 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.845 -0.798 . . . . 71.030000000000001 108.845 171.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.89 100.23 13.12 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.448 -0.945 . . . . 70.409999999999997 108.448 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 t -91.09 129.31 37.1 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.873 0.844 . . . . 72.109999999999999 109.697 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.4 p -129.72 178.97 6.11 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.224 -1.353 . . . . 35.009999999999998 109.031 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.76 -12.62 84.28 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.939 -0.648 . . . . 44.5 111.636 169.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -78.51 -45.76 21.19 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 123.27 0.628 . . . . 72.109999999999999 110.008 174.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.24 -113.14 0.52 Allowed Glycine 0 N--CA 1.447 -0.588 0 O-C-N 123.39 0.431 . . . . 63.350000000000001 112.17 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.4 136.77 17.66 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 123.694 0.798 . . . . 35.340000000000003 109.967 -173.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -139.72 122.97 16.98 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.722 -0.672 . . . . 71.219999999999999 109.804 -175.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.624 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 18.6 tt0 -83.69 103.53 13.07 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.705 -0.622 . . . . 74.340000000000003 111.36 -178.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 32.5 mt -92.17 111.0 22.39 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.12 -0.632 . . . . 74.510000000000005 109.51 176.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -114.7 115.64 27.41 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-O 121.072 0.463 . . . . 74.340000000000003 110.132 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 23.2 m -83.43 131.04 35.05 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 114.925 -1.034 . . . . 72.109999999999999 110.276 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 25.2 mt -138.07 145.86 42.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.46 -0.791 . . . . 70.540000000000006 109.662 -178.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 82.0 167.04 38.79 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 121.194 -0.527 . . . . 71.310000000000002 114.19 172.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' A' ' 16' ' ' THR . . . -146.28 86.17 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.199 0.523 . . . . 73.140000000000001 110.915 -177.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.6 t -121.82 -17.06 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-N 115.663 -0.699 . . . . 75.420000000000002 109.944 174.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.0 t 63.77 96.61 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.216 1.406 . . . . 64.340000000000003 111.55 -174.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -113.66 143.29 44.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.924 -0.58 . . . . 72.109999999999999 111.667 -173.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 69.3 m -116.99 -174.59 2.61 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.316 -0.856 . . . . 72.400000000000006 110.67 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -154.68 -136.04 2.17 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 120.275 -0.964 . . . . 73.209999999999994 114.32 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.427 ' H ' ' HB3' ' A' ' 31' ' ' GLU . 9.9 mt-10 67.01 39.74 3.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.067 1.347 . . . . 64.120000000000005 113.161 -173.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -87.8 90.36 8.35 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 106.82 -1.548 . . . . 64.409999999999997 106.82 165.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--O 1.243 0.711 0 CA-C-N 114.388 -1.278 . . . . 75.450000000000003 110.148 -166.131 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.972 0 N-CA-C 111.958 -0.457 . . . . 75.420000000000002 111.958 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.494 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 15.4 m -106.57 31.19 5.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.16 0.505 . . . . 70.450000000000003 112.037 -174.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -113.37 4.28 16.27 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.579 0.704 . . . . 73.219999999999999 109.609 172.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.8 ptm -73.61 122.0 21.58 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.428 -0.953 . . . . 52.219999999999999 108.428 170.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.93 -61.49 1.78 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.508 -0.769 . . . . 63.509999999999998 110.626 -172.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 62.08 26.72 16.11 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 124.258 1.023 . . . . 72.310000000000002 111.079 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 51.99 -117.68 1.18 Allowed 'General case' 0 C--N 1.348 0.529 0 CA-C-O 117.216 -1.374 . . . . 75.340000000000003 108.787 -165.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 38.96 68.24 0.37 Allowed 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.009 1.724 . . . . 73.400000000000006 113.892 164.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.535 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 95.9 m-85 -77.77 150.36 34.35 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.661 -1.154 . . . . 73.120000000000005 108.191 177.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.498 HD13 ' CD1' ' A' ' 89' ' ' TRP . 55.9 tp -61.9 -27.77 69.05 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 117.798 0.272 . . . . 71.329999999999998 110.866 176.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.616 HD11 HD22 ' A' ' 37' ' ' LEU . 38.0 tp -65.74 -35.83 81.84 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 123.532 0.52 . . . . 75.530000000000001 111.808 172.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.58 -32.67 62.46 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.022 0.529 . . . . 64.030000000000001 110.782 176.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 52.5 mm-40 -68.07 -40.26 82.76 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.702 0.626 . . . . 72.150000000000006 112.292 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.501 HD13 HD22 ' A' ' 32' ' ' LEU . 3.5 pp -75.07 -22.06 58.58 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.642 0.589 . . . . 71.329999999999998 111.969 -175.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -71.3 -22.72 61.91 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.563 -0.744 . . . . 73.030000000000001 112.103 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.559 ' O ' ' HA ' ' A' ' 105' ' ' ALA . 4.3 p -123.62 27.91 7.18 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.861 -0.609 . . . . 71.340000000000003 110.709 -178.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.68 142.95 40.13 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.974 0.416 . . . . 73.030000000000001 111.857 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.49 ' HA ' HG12 ' A' ' 106' ' ' VAL . 27.7 t70 -99.12 -46.03 5.71 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 115.385 -0.825 . . . . 62.200000000000003 110.798 174.13 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.8 ttp -124.3 129.79 51.36 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.461 -0.57 . . . . 60.109999999999999 109.461 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.1 tp -114.15 125.13 53.6 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.274 -0.639 . . . . 73.109999999999999 109.274 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 10.3 tt0 -101.79 151.09 22.47 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.993 -1.003 . . . . 63.049999999999997 111.141 -172.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 23.9 mt -124.85 96.83 4.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 123.471 0.708 . . . . 64.450000000000003 109.814 169.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 t70 49.98 63.88 2.01 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.501 1.52 . . . . 64.409999999999997 113.009 174.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.01 -23.19 6.11 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 115.478 -0.783 . . . . 74.049999999999997 114.423 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 tt -105.21 107.57 18.63 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.06 -1.089 . . . . 74.120000000000005 108.06 -177.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 48.5 p-80 -78.96 143.37 35.82 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.697 -0.801 . . . . 72.109999999999999 110.762 -177.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.07 134.18 35.03 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.195 -1.039 . . . . 75.209999999999994 108.195 173.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.1 p-90 -73.17 -26.83 61.33 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.762 0.315 . . . . 74.420000000000002 110.758 -174.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -139.01 140.33 38.13 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.363 -0.606 . . . . 73.540000000000006 109.363 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -141.01 144.63 35.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.201 0.524 . . . . 73.129999999999995 109.621 173.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -127.38 139.54 52.78 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.744 -0.662 . . . . 74.120000000000005 110.095 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.501 HD22 HD13 ' A' ' 14' ' ' LEU . 48.5 mt -102.66 139.03 38.78 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.835 -1.075 . . . . 63.049999999999997 108.292 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.581 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 49.5 t-20 -79.46 89.71 5.04 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 108.172 -1.047 . . . . 65.319999999999993 108.172 172.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.78 -21.71 57.13 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 123.909 0.756 . . . . 75.120000000000005 111.985 -170.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -70.24 -40.44 74.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.99 0.806 . . . . 71.030000000000001 110.297 174.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.9 tp -76.5 -26.78 55.63 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.815 -0.63 . . . . 53.109999999999999 111.06 177.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.616 HD22 HD11 ' A' ' 11' ' ' LEU . 25.5 mt -84.07 -17.14 41.26 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.744 0.307 . . . . 75.340000000000003 111.664 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.83 -34.46 71.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.494 -0.776 . . . . 72.549999999999997 109.316 171.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -83.75 -28.69 28.02 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 114.761 -1.109 . . . . 65.530000000000001 111.133 177.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.1 81.81 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.03 0.443 . . . . 74.109999999999999 110.825 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -77.09 -35.02 56.82 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 114.889 -1.05 . . . . 72.319999999999993 110.336 177.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.8 -45.16 93.19 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.083 0.953 . . . . 74.209999999999994 110.703 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.06 93.13 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.455 -0.793 . . . . 61.140000000000001 111.278 178.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.61 68.18 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.466 0.543 . . . . 72.530000000000001 112.466 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -70.47 -32.22 69.67 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.152 0.581 . . . . 74.439999999999998 110.835 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.19 8.7 31.69 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.858 -0.61 . . . . 45.32 112.375 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t70 68.38 24.93 7.1 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.664 1.186 . . . . 53.329999999999998 111.378 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -107.62 137.93 19.84 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.539 -0.755 . . . . 74.439999999999998 109.985 -177.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.27 124.62 7.93 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.112 1.875 . . . . 52.25 111.444 173.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -94.89 134.8 37.14 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.704 -0.48 . . . . 74.310000000000002 109.704 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.72 131.16 18.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.462 -0.79 . . . . 61.009999999999998 109.31 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 71.1 m -145.89 132.73 20.1 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 121.11 0.481 . . . . 52.200000000000003 111.311 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -82.08 -1.46 48.63 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.871 -0.604 . . . . 73.209999999999994 111.947 175.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.78 163.86 27.4 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 109.597 -0.52 . . . . 73.340000000000003 109.597 171.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.3 p-90 -72.27 151.89 42.51 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.742 0.417 . . . . 74.129999999999995 110.834 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.408 ' CG2' HD21 ' A' ' 37' ' ' LEU . 10.6 p -131.13 -26.35 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.02 0.438 . . . . 64.329999999999998 110.91 172.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.71 129.42 47.09 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.346 -0.388 . . . . 73.510000000000005 110.878 -175.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -129.3 100.85 5.74 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.828 0.823 . . . . 75.109999999999999 109.547 171.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.51 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -103.12 126.93 57.37 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 114.108 -1.405 . . . . 65.510000000000005 108.721 -179.619 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -121.99 144.5 48.85 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.297 0.57 . . . . 71.019999999999996 110.912 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 t -140.72 119.54 12.57 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.076 -0.965 . . . . 64.409999999999997 109.611 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 66' ' ' THR . 6.3 mp -89.09 106.49 18.47 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.963 -0.695 . . . . 75.349999999999994 109.595 174.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -105.07 107.6 18.67 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.992 -1.114 . . . . 72.019999999999996 107.992 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.94 -93.82 1.19 Allowed Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.17 -1.172 . . . . 72.430000000000007 110.17 -169.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -130.83 -16.02 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 122.792 0.437 . . . . 74.510000000000005 110.971 173.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 6.1 t -77.28 135.41 38.42 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.409 0.623 . . . . 74.349999999999994 110.944 -173.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 63.2 ttt-85 -95.81 105.66 17.7 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.906 -0.588 . . . . 74.140000000000001 109.518 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.96 112.73 24.79 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.695 -0.684 . . . . 73.25 109.16 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -113.43 126.06 54.92 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.092 0.472 . . . . 60.130000000000003 109.746 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.51 ' HB2' HG23 ' A' ' 59' ' ' VAL . 8.9 m-90 -108.18 123.22 48.41 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.063 -0.971 . . . . 62.119999999999997 108.504 172.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -111.45 117.33 32.74 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.903 -0.777 . . . . 65.540000000000006 108.903 174.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -104.27 138.94 39.98 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.925 -1.034 . . . . 65.420000000000002 109.725 -177.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.4 m -72.95 156.81 38.47 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.937 0.773 . . . . 75.519999999999996 110.307 176.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -64.85 -36.22 83.64 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.128 -0.487 . . . . 64.019999999999996 110.573 175.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -66.82 -30.51 70.72 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.034 -0.985 . . . . 72.439999999999998 110.825 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.56 -24.39 53.57 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 123.684 0.615 . . . . 73.120000000000005 111.815 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.5 t -82.18 -25.88 9.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.236 0.614 . . . . 50.200000000000003 110.877 175.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.8 mmt -71.85 -33.76 68.71 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.124 -0.489 . . . . 71.230000000000004 111.499 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -91.84 4.17 53.48 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.519 0.563 . . . . 64.540000000000006 112.519 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.48 115.37 4.18 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.949 0.404 . . . . 61.119999999999997 111.915 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 2' ' ' SER . 50.3 mt-10 -85.23 123.85 72.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 114.869 -1.06 . . . . 72.209999999999994 111.61 -168.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -63.37 117.0 3.96 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 123.08 2.52 . . . . 70.450000000000003 113.34 175.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -75.94 170.4 16.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.981 -0.554 . . . . 72.319999999999993 109.771 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.01 -7.13 53.94 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.815 -0.63 . . . . 55.25 111.364 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -74.95 -25.7 59.07 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.127 -0.942 . . . . 61.43 110.402 171.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.58 -19.14 5.1 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 115.339 0.895 . . . . 73.040000000000006 115.339 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -112.53 -16.25 12.9 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 118.118 0.959 . . . . 74.209999999999994 110.598 177.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.4 m -96.17 143.31 27.4 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.566 -0.743 . . . . 73.430000000000007 110.451 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.498 ' CD1' HD13 ' A' ' 10' ' ' LEU . 62.1 m95 -129.89 130.43 45.17 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 115.03 -0.986 . . . . 71.400000000000006 109.642 -174.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -84.09 104.9 14.53 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.135 -0.691 . . . . 70.400000000000006 109.135 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.42 99.18 11.98 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 108.236 -1.024 . . . . 62.420000000000002 108.236 178.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.6 p -83.42 133.34 34.93 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-O 121.362 0.601 . . . . 54.210000000000001 110.257 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.3 p -131.67 -178.72 4.99 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.73 -1.123 . . . . 71.349999999999994 109.491 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.3 -13.65 82.63 Favored Glycine 0 C--O 1.222 -0.61 0 N-CA-C 111.878 -0.489 . . . . 73.109999999999999 111.878 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -85.98 -41.66 14.69 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 122.881 0.473 . . . . 71.510000000000005 110.944 175.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 171.18 -116.01 0.61 Allowed Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.929 -0.653 . . . . 61.009999999999998 112.825 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -155.48 121.65 5.16 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 122.939 0.496 . . . . 70.030000000000001 111.003 -176.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -109.34 164.36 12.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.57 -0.741 . . . . 73.010000000000005 110.579 -176.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.523 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 24.8 tt0 -111.05 104.2 12.74 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.054 -0.521 . . . . 71.530000000000001 109.722 173.609 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 32.8 mt -92.86 116.78 29.35 Favored 'General case' 0 C--O 1.21 -1.026 0 N-CA-C 109.105 -0.702 . . . . 72.510000000000005 109.105 175.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -121.2 121.89 38.77 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 121.521 0.677 . . . . 65.030000000000001 110.651 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 3.3 p -83.72 116.13 22.52 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.233 -1.349 . . . . 72.420000000000002 111.467 -176.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.3 mt -119.88 132.44 55.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.059 -0.973 . . . . 71.120000000000005 110.277 -176.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 85.52 -172.45 46.74 Favored Glycine 0 C--O 1.228 -0.265 0 C-N-CA 120.851 -0.69 . . . . 42.539999999999999 114.146 176.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.559 ' HA ' ' O ' ' A' ' 16' ' ' THR . . . -149.12 113.39 5.23 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 122.613 0.365 . . . . 42.130000000000003 111.326 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 18' ' ' ASP . 1.4 p -173.69 178.24 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 N-CA-C 106.442 -1.688 . . . . 63.439999999999998 106.442 175.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.3 m 78.29 170.55 0.2 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.32 1.448 . . . . 72.140000000000001 112.81 169.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -171.63 167.17 6.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.635 -1.166 . . . . 72.0 108.536 170.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.2 p -115.92 145.14 43.16 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.197 0.523 . . . . 73.129999999999995 111.661 174.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 174.52 119.44 0.55 Allowed Glycine 0 N--CA 1.439 -1.12 0 CA-C-N 115.286 -0.87 . . . . 64.540000000000006 111.63 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -123.98 -44.87 2.03 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 118.897 -0.573 . . . . 71.430000000000007 112.115 -176.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 19.8 t70 61.91 100.37 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.099 1.36 . . . . 71.540000000000006 110.917 -173.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--O 1.256 1.433 0 CA-C-N 115.374 -0.83 . . . . 64.140000000000001 112.278 -179.44 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.163 0 N-CA-C 112.111 -0.396 . . . . 74.230000000000004 112.111 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 m -81.55 105.89 13.07 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 123.885 0.403 . . . . 74.129999999999995 111.236 -176.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.6 m80 68.8 21.42 7.71 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 125.108 1.363 . . . . 55.520000000000003 112.205 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.9 ptm -145.91 122.04 10.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.123 0.487 . . . . 55.549999999999997 110.451 -176.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.41 -46.59 7.59 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.923 -0.58 . . . . 63.200000000000003 110.095 174.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.5 m -77.1 103.41 7.02 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 108.028 -1.101 . . . . 72.200000000000003 108.028 169.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -70.13 -27.53 64.64 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.164 -0.926 . . . . 72.019999999999996 112.342 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 67.59 100.55 0.05 Allowed 'General case' 0 CA--C 1.499 -1.011 0 O-C-N 125.698 1.873 . . . . 72.109999999999999 109.067 -168.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -97.29 -177.92 4.0 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.102 -1.408 . . . . 54.130000000000003 107.203 169.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.52 HD13 ' CD1' ' A' ' 89' ' ' TRP . 42.8 tp -66.83 -26.91 67.15 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.383 -0.527 . . . . 74.010000000000005 110.153 173.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.0 tp -56.65 -47.52 79.59 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 123.906 0.754 . . . . 73.109999999999999 111.783 172.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.81 -29.59 69.57 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.802 0.441 . . . . 74.049999999999997 111.574 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.502 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 9.8 mm-40 -88.11 -29.1 20.85 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.947 0.721 . . . . 71.010000000000005 112.947 -174.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 3.3 pp -77.2 -20.47 55.31 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.316 0.507 . . . . 73.25 111.177 174.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -66.28 -21.32 66.27 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 123.579 0.752 . . . . 73.329999999999998 112.621 172.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.6 p -124.86 4.49 8.08 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 112.599 0.592 . . . . 74.329999999999998 112.599 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.23 104.47 2.65 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.187 0.449 . . . . 71.019999999999996 111.347 -177.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -73.26 -44.75 58.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.744 0.783 . . . . 51.329999999999998 109.067 175.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 28.2 ttp -120.6 141.65 50.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.292 -1.322 . . . . 63.420000000000002 108.178 170.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.9 tp -125.19 138.82 54.13 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.789 -0.819 . . . . 65.010000000000005 108.789 176.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 10.2 tt0 -120.6 148.04 44.41 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.864 -0.791 . . . . 75.409999999999997 108.864 -176.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.487 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 17.5 tt -136.05 109.92 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-O 122.086 0.946 . . . . 74.019999999999996 111.264 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 60.69 40.28 16.54 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 125.018 1.327 . . . . 74.540000000000006 111.52 176.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.01 3.13 88.0 Favored Glycine 0 CA--C 1.526 0.781 0 CA-C-N 115.934 -0.575 . . . . 63.229999999999997 113.75 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 tt -121.82 115.21 22.22 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.798 -1.186 . . . . 74.519999999999996 107.798 -176.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -70.95 146.57 49.4 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 120.942 -0.303 . . . . 70.0 111.044 -176.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.77 155.06 29.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 72.319999999999993 109.857 174.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -97.32 -29.95 13.24 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.66 -0.867 . . . . 75.150000000000006 108.66 173.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -149.65 159.01 44.68 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.091 -0.707 . . . . 74.420000000000002 109.091 169.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -148.28 149.53 32.02 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.282 -0.636 . . . . 62.039999999999999 109.282 169.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -124.58 140.47 52.91 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.866 -0.606 . . . . 72.010000000000005 110.506 -175.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.44 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 88.4 mt -106.28 152.29 23.71 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.72 -0.474 . . . . 65.120000000000005 109.72 174.091 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.444 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.9 t-20 -77.89 94.33 4.54 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 106.981 -1.488 . . . . 73.219999999999999 106.981 170.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.96 -42.57 84.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.142 -1.39 . . . . 74.400000000000006 111.405 -169.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -61.66 -39.22 90.61 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 124.79 1.306 . . . . 62.030000000000001 112.229 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.1 tp -72.54 -25.27 61.31 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 122.493 0.317 . . . . 70.540000000000006 111.289 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 73.8 mt -84.02 -20.84 32.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.368 -0.378 . . . . 64.510000000000005 111.584 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -69.4 -36.72 77.01 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 109.785 -0.45 . . . . 23.41 109.785 167.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -77.72 -27.87 50.73 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.736 0.647 . . . . 73.340000000000003 111.738 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.1 -39.55 68.84 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 122.976 0.51 . . . . 60.399999999999999 111.295 177.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -74.22 -33.89 63.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.32 -0.854 . . . . 54.539999999999999 110.708 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.05 -43.27 96.03 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.005 0.922 . . . . 61.149999999999999 110.847 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.85 -39.88 87.74 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.502 -0.772 . . . . 72.409999999999997 110.971 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.38 -32.87 74.53 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 123.415 0.447 . . . . 65.049999999999997 112.011 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.35 -24.33 62.07 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.079 0.552 . . . . 74.25 111.967 173.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.41 9.99 36.16 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.111 0.411 . . . . 72.0 112.111 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 64.18 37.09 9.08 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 125.126 1.37 . . . . 72.129999999999995 111.066 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -117.06 135.28 23.03 Favored Pre-proline 0 C--N 1.312 -1.027 0 CA-C-N 114.956 -1.02 . . . . 73.349999999999994 109.233 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -75.13 124.22 8.38 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.4 1.4 . . . . 42.100000000000001 110.291 168.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -87.79 130.41 34.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 109.48 -0.563 . . . . 73.239999999999995 109.48 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.37 122.67 21.74 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.589 -0.732 . . . . 64.140000000000001 109.521 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -137.35 140.6 41.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.337 -0.392 . . . . 55.409999999999997 110.052 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -94.97 9.58 38.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.784 0.326 . . . . 71.299999999999997 110.913 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -78.18 162.4 26.63 Favored 'General case' 0 C--N 1.343 0.283 0 N-CA-C 108.778 -0.823 . . . . 74.340000000000003 108.778 174.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -65.38 151.66 45.75 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 123.599 0.562 . . . . 71.299999999999997 109.63 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 32' ' ' LEU . 8.2 p -135.28 -18.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 O-C-N 122.25 -0.281 . . . . 72.109999999999999 111.039 175.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.6 tp -150.85 113.86 4.78 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 121.568 0.699 . . . . 75.510000000000005 111.697 -172.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.4 106.03 16.37 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 114.596 -1.183 . . . . 70.310000000000002 108.742 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.1 t -99.09 109.4 24.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.383 -0.969 . . . . 74.239999999999995 108.383 -174.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -111.09 126.27 54.65 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.979 0.895 . . . . 63.32 110.985 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.9 m -130.94 159.27 37.94 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.698 -1.137 . . . . 75.450000000000003 109.141 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.5 mt -112.2 106.28 14.83 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.439 -0.578 . . . . 74.5 109.439 173.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -95.54 94.4 7.75 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 122.261 1.029 . . . . 75.409999999999997 110.23 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.75 -96.14 2.17 Favored Glycine 0 N--CA 1.434 -1.489 0 N-CA-C 108.687 -1.765 . . . . 72.310000000000002 108.687 -177.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 25.15 2.11 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 122.226 1.013 . . . . 73.040000000000006 108.366 166.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -95.85 127.59 42.0 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 114.025 -1.443 . . . . 71.530000000000001 109.31 176.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -91.19 108.5 19.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.313 -0.625 . . . . 71.549999999999997 109.313 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -117.71 120.53 38.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.965 -1.016 . . . . 71.150000000000006 110.258 -172.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -125.71 129.21 49.08 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 120.98 0.419 . . . . 72.299999999999997 110.172 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 17.9 m-90 -107.38 122.21 46.13 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.326 -0.852 . . . . 73.420000000000002 109.118 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -102.05 120.59 40.68 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.375 0.607 . . . . 72.409999999999997 110.018 175.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -108.41 142.91 38.06 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.624 -1.171 . . . . 74.519999999999996 109.38 178.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 98.4 p -85.29 166.73 16.24 Favored 'General case' 0 N--CA 1.443 -0.819 0 O-C-N 123.964 0.79 . . . . 71.430000000000007 109.714 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -64.1 -36.19 83.23 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.724 -0.671 . . . . 73.239999999999995 110.298 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.45 -35.92 81.48 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 112.042 0.386 . . . . 74.140000000000001 112.042 177.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.9 -35.78 74.9 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 123.577 0.548 . . . . 63.100000000000001 112.428 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.6 m -78.01 -18.7 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 112.174 0.435 . . . . 74.319999999999993 112.174 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.9 mmt -76.88 -37.0 56.33 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 122.527 0.331 . . . . 63.210000000000001 111.115 173.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -100.84 1.94 40.57 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.486 0.55 . . . . 63.329999999999998 112.486 -178.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.25 125.68 23.83 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 123.043 0.537 . . . . 74.420000000000002 110.883 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 90' ' ' ARG . 30.0 mt-10 -75.61 120.78 83.21 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.594 1.184 . . . . 73.040000000000006 111.352 -162.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -62.7 117.64 4.53 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.615 2.21 . . . . 72.25 111.41 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -89.0 162.56 15.98 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.787 -0.642 . . . . 73.439999999999998 109.323 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.89 -6.69 48.76 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.605 0.594 . . . . 72.340000000000003 112.605 -176.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.8 -24.2 61.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.482 0.713 . . . . 71.340000000000003 110.879 175.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.27 -14.97 31.12 Favored Glycine 0 C--N 1.346 1.095 0 N-CA-C 114.308 0.483 . . . . 63.219999999999999 114.308 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -120.68 -14.42 8.59 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.663 -0.495 . . . . 75.420000000000002 109.663 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 63.6 m -98.14 148.38 23.62 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.713 -0.676 . . . . 73.150000000000006 111.689 -177.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.52 ' CD1' HD13 ' A' ' 10' ' ' LEU . 54.0 m95 -135.34 146.71 48.68 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 114.718 -1.128 . . . . 73.099999999999994 108.279 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.402 ' HB3' ' HB2' ' A' ' 81' ' ' GLU . 45.5 ttp180 -109.76 113.03 25.44 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 120.065 -0.654 . . . . 52.210000000000001 110.44 179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.438 HD21 ' CD2' ' A' ' 10' ' ' LEU . 4.5 mm? -91.72 97.97 11.34 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 114.75 -1.114 . . . . 62.039999999999999 108.229 176.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.1 m -98.76 109.89 22.58 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.267 -1.012 . . . . 74.439999999999998 108.267 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.3 p -112.77 -171.63 1.9 Allowed 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 113.542 -1.663 . . . . 72.209999999999994 109.081 -173.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.45 -13.26 83.73 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.891 -0.671 . . . . 52.5 112.245 174.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -99.83 -2.1 35.84 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.571 0.349 . . . . 63.229999999999997 111.894 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.73 -131.56 4.52 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 120.773 -0.727 . . . . 45.530000000000001 113.196 173.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.69 114.67 4.7 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.587 0.755 . . . . 75.230000000000004 109.492 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -118.69 118.11 30.75 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.292 0.637 . . . . 63.539999999999999 110.075 -172.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.487 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 24.7 tt0 -86.54 105.34 16.76 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-O 121.022 0.439 . . . . 74.120000000000005 111.797 -175.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.405 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 24.9 mt -91.37 111.2 22.59 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.423 0.63 . . . . 64.439999999999998 110.644 178.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -112.38 121.98 46.41 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 114.941 -1.027 . . . . 60.299999999999997 110.003 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 9.4 p -82.56 131.94 35.2 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.557 -0.747 . . . . 63.439999999999998 109.763 177.15 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.8 mt -129.57 99.85 5.32 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.261 -0.881 . . . . 74.310000000000002 109.441 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.66 169.42 16.97 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.573 -0.822 . . . . 40.030000000000001 111.962 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.38 32.29 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.788 0.328 . . . . 75.120000000000005 111.108 -173.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.2 t -120.94 94.92 3.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 110.073 -0.343 . . . . 53.32 110.073 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.8 m -143.11 138.84 30.13 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 120.938 0.399 . . . . 74.140000000000001 110.457 169.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -125.68 23.73 7.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.819 -0.628 . . . . 73.340000000000003 110.656 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.5 p -79.28 173.33 12.69 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.999 -0.546 . . . . 62.509999999999998 111.15 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.77 57.57 4.09 Favored Glycine 0 C--N 1.332 0.337 0 N-CA-C 111.199 -0.76 . . . . 62.539999999999999 111.199 -172.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.417 ' HB2' ' H ' ' A' ' 112' ' ' ASP . 12.9 mt-10 -79.85 -79.57 0.14 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.979 -0.61 . . . . 61.229999999999997 109.856 -173.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.417 ' H ' ' HB2' ' A' ' 111' ' ' GLU . 26.7 t70 -160.65 -79.04 0.05 Allowed 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 107.853 -1.166 . . . . 21.32 107.853 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 . . . . . 0 C--O 1.244 0.784 0 CA-C-O 118.052 -0.975 . . . . 73.340000000000003 108.97 171.509 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 112.244 -0.343 . . . . 65.420000000000002 112.244 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 p -100.39 44.15 1.03 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.897 0.38 . . . . 51.119999999999997 112.022 -176.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -70.32 -41.71 72.9 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.765 -0.457 . . . . 72.349999999999994 109.765 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 67.1 mtt -70.72 121.82 18.67 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 108.299 -1.0 . . . . 75.209999999999994 108.299 167.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 p -70.14 -55.19 10.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 119.141 -0.457 . . . . 74.319999999999993 111.151 -177.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t 42.17 42.32 2.42 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.312 1.845 . . . . 71.120000000000005 112.442 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -86.16 -26.09 25.35 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.298 -1.319 . . . . 72.450000000000003 109.965 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.1 mtt85 68.76 98.35 0.06 Allowed 'General case' 0 C--N 1.351 0.661 0 O-C-N 124.991 1.432 . . . . 72.349999999999994 110.839 -177.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -98.1 169.06 9.87 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.167 -1.379 . . . . 73.129999999999995 108.038 173.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.527 HD13 ' CD1' ' A' ' 89' ' ' TRP . 51.1 tp -69.75 -29.08 66.35 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.529 -0.545 . . . . 65.430000000000007 109.529 169.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.1 tp -57.65 -44.5 85.69 Favored 'General case' 0 C--O 1.221 -0.423 0 O-C-N 123.894 0.746 . . . . 73.530000000000001 111.44 171.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -66.99 -36.32 81.9 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.038 -0.528 . . . . 62.140000000000001 111.255 177.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.08 -41.9 60.99 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 113.649 0.981 . . . . 73.120000000000005 113.649 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.428 HD13 HD22 ' A' ' 32' ' ' LEU . 2.9 pp -68.7 -21.52 64.41 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 112.705 0.632 . . . . 71.049999999999997 112.705 -175.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.59 -43.03 93.83 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.947 0.899 . . . . 71.109999999999999 112.439 177.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 105' ' ' ALA . 13.3 p -107.08 -19.96 13.45 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 112.769 0.655 . . . . 74.140000000000001 112.769 -175.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 104' ' ' GLY . . . -57.15 133.26 54.87 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.394 0.678 . . . . 74.230000000000004 112.454 -176.144 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -91.12 -54.35 3.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.725 0.774 . . . . 62.310000000000002 109.954 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.4 ttp -108.86 137.4 46.85 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.726 -1.124 . . . . 74.129999999999995 109.272 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mt -122.6 143.02 50.02 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.803 -0.443 . . . . 60.5 109.803 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 74.9 mt-10 -109.09 154.8 21.76 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.659 -0.867 . . . . 74.5 108.659 172.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 12.0 tt -144.85 95.15 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-O 122.103 0.954 . . . . 73.120000000000005 112.183 173.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.485 ' HB2' ' H ' ' A' ' 99' ' ' GLN . 38.9 t70 52.03 59.2 4.71 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 113.989 -1.46 . . . . 65.310000000000002 111.641 178.337 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.65 -24.74 11.2 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-N 114.866 -1.061 . . . . 72.219999999999999 114.126 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.73 155.97 26.48 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 117.366 0.583 . . . . 52.43 110.18 176.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -119.73 112.74 19.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.4 -0.364 . . . . 75.129999999999995 110.88 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.65 115.3 19.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.634 -0.506 . . . . 74.239999999999995 109.634 174.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -77.9 -25.14 48.3 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.308 -0.86 . . . . 75.0 109.341 -178.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -149.53 167.54 25.99 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.693 -1.14 . . . . 63.149999999999999 108.411 176.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -158.04 151.36 23.25 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 123.706 0.628 . . . . 64.019999999999996 109.989 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -111.57 134.46 53.13 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.185 -0.672 . . . . 70.120000000000005 109.185 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.428 HD22 HD13 ' A' ' 14' ' ' LEU . 96.5 mt -104.36 150.86 24.12 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.285 -0.87 . . . . 52.539999999999999 110.675 176.184 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.582 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 51.0 t-20 -84.33 81.92 8.61 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.568 -1.271 . . . . 62.240000000000002 107.568 169.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -77.8 -17.95 56.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.283 -0.871 . . . . 73.310000000000002 112.238 -169.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -65.34 -44.8 86.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.137 -0.938 . . . . 71.510000000000005 109.769 170.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.2 tp -76.87 -25.18 52.8 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.327 -0.851 . . . . 71.019999999999996 111.462 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 69.1 mt -78.83 -28.62 44.44 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.252 0.464 . . . . 54.439999999999998 112.252 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.74 -43.07 99.77 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.782 0.676 . . . . 74.230000000000004 110.153 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -72.51 -27.6 62.36 Favored 'General case' 0 C--O 1.225 -0.235 0 O-C-N 124.286 0.991 . . . . 73.439999999999998 111.522 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.22 -46.11 78.37 Favored 'General case' 0 CA--C 1.518 -0.28 0 O-C-N 123.732 0.645 . . . . 60.329999999999998 111.496 178.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.15 -26.59 39.31 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.366 -0.833 . . . . 61.219999999999999 110.664 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.0 -50.51 73.1 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.308 1.043 . . . . 74.010000000000005 110.247 173.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.28 -35.87 78.52 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.567 -0.742 . . . . 44.409999999999997 111.29 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.66 75.25 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.534 0.568 . . . . 51.210000000000001 112.534 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.39 -32.13 71.98 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.041 -0.527 . . . . 75.239999999999995 111.299 171.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.62 7.65 16.71 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.394 0.678 . . . . 72.530000000000001 112.791 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.2 t70 70.37 23.22 5.04 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.103 1.361 . . . . 75.409999999999997 111.606 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -113.79 129.53 24.64 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.789 -0.641 . . . . 73.319999999999993 109.599 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -64.7 125.62 15.21 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.303 2.002 . . . . 73.439999999999998 111.613 173.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -93.93 125.97 38.87 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.884 -0.784 . . . . 74.239999999999995 108.884 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -140.24 119.19 12.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.692 -0.686 . . . . 75.510000000000005 109.814 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 74' ' ' TYR . 42.2 t -128.32 147.86 50.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.466 -0.788 . . . . 71.099999999999994 109.69 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -95.35 -4.0 46.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.234 -0.439 . . . . 63.43 111.089 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -74.28 164.49 26.54 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.55 -0.537 . . . . 73.030000000000001 109.55 176.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -67.29 159.95 28.16 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 123.231 0.332 . . . . 72.030000000000001 110.686 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.7 p -137.86 -31.01 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.854 0.359 . . . . 61.020000000000003 111.899 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.4 tp -140.67 124.21 16.93 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.11 0.481 . . . . 75.019999999999996 111.029 -172.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.1 107.41 13.01 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.187 -0.915 . . . . 65.430000000000007 108.871 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -100.1 126.57 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 120.923 0.392 . . . . 73.109999999999999 110.365 -176.546 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -110.41 115.77 30.25 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.601 0.715 . . . . 62.200000000000003 110.814 -177.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.7 m -122.62 134.02 54.52 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.651 -1.159 . . . . 54.509999999999998 108.671 173.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.5 mt -75.72 107.07 7.63 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.895 -0.779 . . . . 64.430000000000007 108.895 173.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -108.96 104.75 14.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.342 -0.844 . . . . 71.25 108.865 -179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.59 -115.13 3.96 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.276 -1.129 . . . . 75.409999999999997 110.276 -169.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -118.53 5.29 11.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.663 0.744 . . . . 73.299999999999997 109.313 170.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -92.63 141.79 28.09 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.556 -1.202 . . . . 41.399999999999999 110.523 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.546 ' H ' ' HD2' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -91.39 98.95 12.01 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 122.3 1.047 . . . . 74.450000000000003 108.532 170.365 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -96.03 121.95 38.34 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.691 -1.141 . . . . 75.109999999999999 109.557 -171.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 30.1 tt0 -115.24 133.14 56.31 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.245 -0.889 . . . . 73.120000000000005 110.263 -176.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 19.8 m-90 -110.45 125.27 53.1 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.163 -0.68 . . . . 71.219999999999999 109.163 174.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -104.3 124.3 48.93 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.017 -0.992 . . . . 73.329999999999998 109.511 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -111.27 137.66 48.72 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.119 -0.946 . . . . 63.109999999999999 110.206 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.2 m -74.92 159.12 32.24 Favored 'General case' 0 N--CA 1.444 -0.743 0 O-C-N 124.199 0.937 . . . . 71.239999999999995 109.411 173.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.448 ' HB3' ' O ' ' A' ' 52' ' ' SER . 51.1 t80 -65.47 -37.67 87.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.231 -0.44 . . . . 72.299999999999997 111.192 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -74.01 -20.55 60.29 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.482 0.549 . . . . 62.119999999999997 112.482 176.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.96 -35.51 62.11 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.277 0.56 . . . . 73.109999999999999 110.784 173.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.8 t -74.7 -24.24 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 CA-C-N 115.926 -0.579 . . . . 72.140000000000001 111.195 175.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.8 mmt -71.11 -37.43 72.35 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.489 0.551 . . . . 54.140000000000001 112.489 173.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -88.81 6.49 38.72 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.181 0.437 . . . . 51.009999999999998 112.181 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.429 ' HB2' HD22 ' A' ' 91' ' ' LEU . . . -61.65 116.81 5.07 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.726 0.298 . . . . 74.430000000000007 111.61 176.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -80.21 125.05 82.26 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.303 -0.862 . . . . 60.340000000000003 111.512 -175.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -67.14 125.48 13.63 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 121.715 1.61 . . . . 73.140000000000001 110.61 171.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -82.24 176.47 9.44 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.661 -0.496 . . . . 62.340000000000003 109.661 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.25 -22.32 61.99 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.526 0.565 . . . . 62.439999999999998 112.526 -175.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -80.61 -21.05 41.91 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.662 -0.244 . . . . 50.130000000000003 111.515 174.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.84 -13.67 55.52 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 115.144 0.818 . . . . 73.420000000000002 115.144 173.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -99.03 -30.71 12.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.373 0.587 . . . . 73.400000000000006 110.112 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.0 m -88.55 143.35 27.02 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.652 -0.704 . . . . 53.130000000000003 110.529 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.527 ' CD1' HD13 ' A' ' 10' ' ' LEU . 60.4 m95 -125.78 129.79 50.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.447 -0.797 . . . . 74.129999999999995 109.048 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -88.12 103.69 15.98 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.398 -0.593 . . . . 74.319999999999993 109.398 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.429 HD22 ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -90.71 100.3 13.17 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 114.932 -1.031 . . . . 72.219999999999999 108.339 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.8 p -91.12 128.0 36.77 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.068 -0.969 . . . . 74.430000000000007 108.978 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 37.8 p -128.34 -173.82 3.05 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.379 -0.828 . . . . 63.32 110.79 -171.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.5 -19.17 76.71 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.592 -0.603 . . . . 43.0 111.592 169.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -77.81 -41.3 37.64 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.073 0.549 . . . . 70.109999999999999 111.621 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.32 -117.08 0.75 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.204 -0.522 . . . . 35.5 112.182 -176.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -143.92 133.79 23.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.343 0.592 . . . . 72.409999999999997 110.64 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.435 ' HB3' ' CG1' ' A' ' 22' ' ' ILE . 86.6 m-85 -131.42 128.97 40.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.053 -0.976 . . . . 62.219999999999999 108.939 -177.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.485 ' H ' ' HB2' ' A' ' 23' ' ' ASP . 22.5 tt0 -95.91 101.79 13.51 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.321 -0.552 . . . . 74.25 110.189 -176.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.539 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 41.6 mt -92.49 109.84 21.24 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.058 -0.519 . . . . 75.420000000000002 109.809 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -112.75 118.08 34.0 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.475 0.655 . . . . 74.209999999999994 110.147 177.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.6 p -83.13 124.45 30.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.391 -1.277 . . . . 64.040000000000006 111.243 -177.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 75.0 mt -128.1 130.42 48.14 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.12 -0.945 . . . . 64.310000000000002 109.577 -176.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 17' ' ' ALA . . . 81.91 164.17 33.31 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.309 -0.948 . . . . 71.430000000000007 113.16 177.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' A' ' 16' ' ' THR . . . -144.64 81.43 1.66 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.197 0.522 . . . . 71.409999999999997 110.517 -177.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 69.8 t -130.53 98.04 3.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-N 115.602 -0.727 . . . . 71.299999999999997 109.452 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 t 58.73 -157.41 0.32 Allowed 'General case' 0 N--CA 1.48 1.036 0 O-C-N 124.816 1.322 . . . . 74.140000000000001 112.075 168.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -132.46 -163.38 1.33 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.515 -0.55 . . . . 63.219999999999999 109.515 172.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.7 m -68.84 -56.55 7.59 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.612 0.365 . . . . 64.450000000000003 111.738 -176.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.47 29.6 57.81 Favored Glycine 0 C--N 1.335 0.513 0 CA-C-N 116.207 -0.451 . . . . 54.409999999999997 112.156 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -99.0 2.32 46.21 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 122.87 0.468 . . . . 61.200000000000003 111.468 -174.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -84.23 -34.97 23.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.093 -0.503 . . . . 75.150000000000006 110.713 177.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 . . . . . 0 C--O 1.24 0.603 0 O-C-N 123.463 0.477 . . . . 73.010000000000005 110.893 -177.494 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.514 0 CA-C-O 119.721 -0.488 . . . . 63.329999999999998 112.262 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m 56.64 70.64 0.63 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.433 1.093 . . . . 73.430000000000007 111.117 -173.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.15 68.72 9.14 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.852 0.834 . . . . 70.010000000000005 110.878 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 92.4 mtp -131.11 109.12 10.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.551 -1.204 . . . . 72.219999999999999 108.116 178.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 p -78.57 -60.52 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 119.269 -0.396 . . . . 65.219999999999999 111.715 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 57.01 45.89 20.33 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 124.195 0.998 . . . . 71.420000000000002 109.148 -172.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 60.78 -104.28 0.17 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-O 116.965 -1.493 . . . . 71.549999999999997 107.406 -158.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? 31.27 61.06 0.26 Allowed 'General case' 0 C--N 1.368 1.374 0 C-N-CA 126.624 1.969 . . . . 72.219999999999999 114.473 167.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -86.09 171.93 10.98 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.006 -1.452 . . . . 74.299999999999997 107.412 174.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.44 HD13 ' CD1' ' A' ' 89' ' ' TRP . 62.9 tp -68.97 -28.37 66.56 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.337 0.971 . . . . 55.140000000000001 110.002 170.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.1 tp -63.59 -41.86 98.32 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.232 -0.895 . . . . 72.430000000000007 111.348 172.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.18 -29.46 60.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.67 -0.696 . . . . 71.319999999999993 110.992 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.476 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 3.0 mm-40 -68.86 -41.73 78.03 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 115.559 -0.746 . . . . 74.340000000000003 112.695 178.015 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.471 HD13 HD22 ' A' ' 32' ' ' LEU . 3.5 pp -72.66 -23.93 60.97 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.059 0.391 . . . . 61.43 111.683 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -66.98 -27.87 67.8 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.992 0.807 . . . . 72.030000000000001 111.955 172.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.707 ' O ' ' HA ' ' A' ' 105' ' ' ALA . 36.6 p -122.67 28.7 7.19 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 116.441 -0.345 . . . . 71.109999999999999 110.988 -178.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -104.43 148.14 26.76 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.751 -0.593 . . . . 74.409999999999997 110.988 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -110.47 -42.64 4.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.283 0.563 . . . . 61.119999999999997 110.366 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.9 ttp -124.77 129.34 50.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.102 -0.703 . . . . 63.109999999999999 109.102 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -115.11 128.38 56.18 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.313 -0.255 . . . . 75.140000000000001 110.313 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -104.64 148.52 26.45 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.929 -0.578 . . . . 71.129999999999995 109.726 172.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 15.5 tt -135.11 105.5 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 CA-C-O 122.328 1.061 . . . . 54.530000000000001 109.212 177.336 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 62.98 26.44 15.51 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 113.838 -1.528 . . . . 73.200000000000003 111.264 -173.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.23 -20.08 51.91 Favored Glycine 0 C--N 1.341 0.851 0 CA-C-N 116.147 -0.478 . . . . 75.109999999999999 112.746 -177.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.03 107.5 10.64 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.354 -0.61 . . . . 62.200000000000003 109.354 178.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -80.91 125.21 29.83 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.376 -0.53 . . . . 71.400000000000006 110.51 -176.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.41 135.14 44.18 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.373 -0.83 . . . . 74.120000000000005 109.712 174.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 29.1 p-90 -73.94 -28.94 61.75 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 109.166 -0.679 . . . . 75.310000000000002 109.166 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -159.03 139.66 12.52 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.222 -0.899 . . . . 71.140000000000001 109.217 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -119.47 163.03 17.87 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.452 -0.794 . . . . 63.100000000000001 109.216 171.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -132.76 136.25 46.22 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.013 -0.736 . . . . 73.230000000000004 109.013 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.471 HD22 HD13 ' A' ' 14' ' ' LEU . 63.1 mt -108.77 152.19 25.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.127 -0.488 . . . . 71.25 110.381 -176.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.421 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 46.5 t-20 -86.88 85.18 7.25 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 107.824 -1.176 . . . . 73.25 107.824 171.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.22 -24.6 64.04 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 124.149 0.98 . . . . 75.0 112.681 -173.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -71.82 -39.44 69.82 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.993 0.808 . . . . 71.530000000000001 111.347 176.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 tp -79.39 -24.26 42.71 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.248 -0.433 . . . . 71.0 110.884 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 95.9 mt -82.34 -27.2 32.36 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.047 0.539 . . . . 74.209999999999994 111.432 176.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.18 -40.67 94.58 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.415 -0.811 . . . . 61.130000000000003 109.387 171.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -80.64 -19.52 45.14 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 115.018 -0.992 . . . . 71.040000000000006 112.009 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.76 -38.37 64.73 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 123.1 0.25 . . . . 60.439999999999998 110.785 175.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.29 -36.7 61.12 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.773 -0.648 . . . . 65.230000000000004 110.685 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.2 tt -56.29 -45.48 80.15 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.762 1.225 . . . . 64.120000000000005 110.725 172.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.95 73.05 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.394 -0.821 . . . . 63.130000000000003 111.792 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.96 74.59 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.208 0.447 . . . . 72.530000000000001 112.208 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -77.07 -22.15 53.31 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.665 -0.698 . . . . 72.340000000000003 111.625 174.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.64 9.67 33.81 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.888 -0.596 . . . . 64.530000000000001 111.945 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 66.86 25.97 9.41 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.795 1.238 . . . . 63.119999999999997 111.401 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -109.46 122.55 39.14 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.863 -0.608 . . . . 73.519999999999996 109.93 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -66.12 124.38 12.52 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.16 1.907 . . . . 72.239999999999995 110.673 168.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -100.72 124.23 46.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.038 -0.528 . . . . 75.129999999999995 109.916 -173.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -137.02 120.82 17.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.0 0.429 . . . . 71.209999999999994 110.163 175.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.5 t -127.88 147.85 50.46 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.832 -0.622 . . . . 73.140000000000001 110.051 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -99.23 2.38 45.6 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.424 -0.353 . . . . 73.510000000000005 110.881 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -74.36 165.97 24.28 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.802 -0.814 . . . . 74.310000000000002 108.802 174.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.454 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 12.3 p-90 -70.5 155.67 40.4 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 109.889 -0.411 . . . . 71.310000000000002 109.889 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.4 p -133.83 -24.15 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 121.077 0.465 . . . . 74.349999999999994 111.205 174.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.1 tp -145.37 117.8 8.51 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-O 121.409 0.623 . . . . 72.409999999999997 111.308 -171.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.05 108.92 20.23 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.846 -1.07 . . . . 71.409999999999997 108.837 172.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.9 t -100.86 116.68 44.85 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 N-CA-C 106.863 -1.532 . . . . 61.549999999999997 106.863 -176.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -123.2 130.95 53.45 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.591 -0.843 . . . . 72.040000000000006 111.897 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.6 t -137.95 158.72 43.77 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.717 -1.128 . . . . 73.219999999999999 109.711 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.4 mt -111.74 123.54 50.46 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.03 -0.359 . . . . 62.240000000000002 110.03 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -104.67 95.37 5.85 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.39 -0.368 . . . . 75.129999999999995 110.392 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.05 -89.75 0.89 Allowed Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 110.792 -0.923 . . . . 52.25 110.792 -175.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -129.48 -4.36 4.8 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.038 0.535 . . . . 74.239999999999995 111.154 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 t -95.69 170.62 9.2 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 122.019 -0.426 . . . . 75.049999999999997 110.036 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.03 128.96 49.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.94 -0.393 . . . . 70.430000000000007 109.94 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 -122.56 119.92 32.27 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.27 -0.423 . . . . 74.239999999999995 110.228 174.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.48 132.4 54.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.868 0.842 . . . . 64.109999999999999 109.531 171.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 14.7 m-90 -109.83 121.71 45.86 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 107.321 -1.363 . . . . 65.340000000000003 107.321 175.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -112.45 113.99 26.45 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.399 0.619 . . . . 73.349999999999994 109.906 -176.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -104.97 134.71 47.63 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.872 -1.058 . . . . 73.540000000000006 110.349 -176.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 81.9 p -74.48 160.81 30.45 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.071 -0.968 . . . . 74.519999999999996 110.133 175.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -60.66 -34.34 74.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.01 -0.995 . . . . 73.510000000000005 110.532 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.4 -37.02 74.4 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 123.878 0.736 . . . . 72.010000000000005 111.907 -178.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.412 ' HB1' HD11 ' A' ' 91' ' ' LEU . . . -72.15 -32.44 66.88 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.168 0.508 . . . . 53.310000000000002 111.994 178.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.7 t -76.41 -24.73 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 CA-C-N 115.592 -0.731 . . . . 74.329999999999998 111.181 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.87 -43.61 83.08 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 122.899 0.479 . . . . 65.430000000000007 111.839 174.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -92.13 9.58 32.94 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.639 0.607 . . . . 54.420000000000002 112.639 -175.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.87 133.1 54.18 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.669 0.747 . . . . 71.329999999999998 112.058 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.492 ' HB3' ' HB3' ' A' ' 90' ' ' ARG . 28.2 tt0 -93.54 123.94 58.67 Favored Pre-proline 0 C--N 1.316 -0.879 0 CA-C-N 114.092 -1.413 . . . . 72.120000000000005 111.146 -168.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -70.07 117.36 5.06 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.839 1.693 . . . . 74.230000000000004 111.418 175.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -82.58 173.24 12.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.742 -0.663 . . . . 73.530000000000001 111.174 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.52 -8.58 56.5 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.616 -0.72 . . . . 54.219999999999999 111.833 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -76.44 -24.07 53.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.076 0.551 . . . . 61.109999999999999 111.075 175.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.64 -15.14 26.7 Favored Glycine 0 C--N 1.339 0.724 0 N-CA-C 114.874 0.709 . . . . 71.049999999999997 114.874 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -123.44 -19.93 5.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.699 0.749 . . . . 60.399999999999999 110.428 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.6 m -93.42 145.25 24.63 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.756 -0.656 . . . . 74.420000000000002 111.133 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.44 ' CD1' HD13 ' A' ' 10' ' ' LEU . 75.8 m95 -125.76 140.44 52.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.778 -1.101 . . . . 75.230000000000004 109.555 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.492 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 63.9 ttt180 -92.63 108.05 19.68 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 109.243 -0.651 . . . . 62.039999999999999 109.243 175.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.412 HD11 ' HB1' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -91.06 100.12 13.03 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 107.924 -1.139 . . . . 75.540000000000006 107.924 175.078 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.8 t -92.04 123.18 35.21 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.005 -0.998 . . . . 54.119999999999997 109.059 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 76.5 p -122.79 -171.42 2.28 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.312 -0.858 . . . . 75.519999999999996 109.938 -176.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.56 -1.79 89.17 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 121.223 -0.513 . . . . 74.510000000000005 112.222 171.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -98.24 -48.86 4.92 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.311 -0.626 . . . . 71.230000000000004 109.311 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.79 -115.69 0.55 Allowed Glycine 0 C--N 1.34 0.76 0 C-N-CA 120.857 -0.687 . . . . 70.200000000000003 113.194 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -146.62 133.29 19.92 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.159 0.584 . . . . 64.120000000000005 110.546 -174.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.441 ' HB3' HD11 ' A' ' 22' ' ' ILE . 84.0 m-85 -130.35 117.23 19.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.374 -0.83 . . . . 75.430000000000007 108.86 -177.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.51 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 11.9 tt0 -84.19 100.42 11.16 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.935 0.398 . . . . 65.409999999999997 110.735 -175.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.2 mt -93.35 109.06 20.62 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.153 0.501 . . . . 54.210000000000001 110.395 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -109.39 119.52 39.71 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.809 -0.632 . . . . 74.200000000000003 109.489 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 36.4 m -92.07 121.64 33.82 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 114.43 -1.259 . . . . 72.310000000000002 111.157 -174.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.3 mt -122.34 144.21 49.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.98 -1.009 . . . . 75.299999999999997 109.649 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 83.4 -172.29 50.65 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.101 -0.571 . . . . 64.450000000000003 113.03 175.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.707 ' HA ' ' O ' ' A' ' 16' ' ' THR . . . -156.11 58.9 0.58 Allowed 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.328 0.492 . . . . 75.409999999999997 112.328 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.54 93.33 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 O-C-N 122.169 -0.332 . . . . 75.109999999999999 110.579 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.56 108.87 2.99 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 122.92 0.488 . . . . 62.340000000000003 110.531 173.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -89.77 123.16 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.992 -0.744 . . . . 65.230000000000004 108.992 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.9 t -132.42 158.11 42.83 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.548 0.213 . . . . 71.099999999999994 111.234 -172.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 118.62 148.7 8.5 Favored Glycine 0 C--N 1.334 0.421 0 N-CA-C 111.52 -0.632 . . . . 55.310000000000002 111.52 -177.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -138.18 -58.5 0.65 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.584 0.957 . . . . 63.130000000000003 113.584 -175.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.5 t70 55.81 70.79 0.6 Allowed 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.394 1.059 . . . . 72.230000000000004 109.796 -164.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.778 -0.646 . . . . 75.209999999999994 110.194 -178.681 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 112.042 -0.423 . . . . 62.340000000000003 112.042 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 t -149.16 107.04 3.68 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.154 -0.684 . . . . 54.009999999999998 109.154 174.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -77.68 -17.46 57.64 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.268 -0.424 . . . . 75.510000000000005 110.519 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 94.0 mtp -66.68 107.23 2.06 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.838 -0.801 . . . . 64.200000000000003 108.838 172.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.5 p -94.78 -52.45 4.26 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 114.92 -1.037 . . . . 53.329999999999998 109.722 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.3 m -79.78 104.98 10.73 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 106.122 -1.807 . . . . 74.200000000000003 106.122 163.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -54.81 -59.47 4.68 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 124.948 1.405 . . . . 71.230000000000004 112.691 -173.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 59.75 78.0 0.29 Allowed 'General case' 0 C--N 1.343 0.292 0 O-C-N 125.112 1.507 . . . . 71.230000000000004 110.482 -174.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 78.1 m-85 -86.88 -172.81 4.17 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 107.799 -1.186 . . . . 70.129999999999995 107.799 168.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 89' ' ' TRP . 56.8 tp -63.14 -27.47 69.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.588 -0.278 . . . . 73.120000000000005 110.593 172.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.5 tp -54.61 -49.91 69.34 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.414 1.086 . . . . 61.409999999999997 112.514 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.18 -28.34 61.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.296 -0.411 . . . . 64.319999999999993 110.891 -178.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 31.2 mm-40 -74.66 -37.72 62.65 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 115.63 -0.714 . . . . 72.420000000000002 112.662 -177.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.441 HD13 HD22 ' A' ' 32' ' ' LEU . 3.5 pp -69.51 -26.69 64.66 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.616 0.599 . . . . 74.230000000000004 112.616 -176.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -75.38 -20.82 58.75 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.608 -0.724 . . . . 72.219999999999999 111.85 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 p -119.72 11.52 11.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.537 0.569 . . . . 73.230000000000004 112.537 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.99 141.21 47.7 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 122.208 -0.308 . . . . 72.209999999999994 111.45 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.37 -22.22 15.14 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.653 -0.703 . . . . 73.439999999999998 109.989 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.482 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 42.5 mmm -118.35 132.02 56.29 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 114.748 -1.114 . . . . 64.420000000000002 108.805 -176.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.6 mt -121.71 118.81 30.02 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.169 -0.678 . . . . 74.450000000000003 109.169 168.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 36.0 tt0 -98.76 140.03 33.57 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.009 -0.996 . . . . 74.540000000000006 108.678 179.259 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 22.6 mt -126.6 102.61 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 123.827 0.705 . . . . 73.129999999999995 109.696 173.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 63.01 28.38 16.21 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 114.306 -1.315 . . . . 74.040000000000006 113.043 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.11 -21.36 46.16 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 120.954 -0.641 . . . . 75.420000000000002 112.847 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 tt -87.81 118.93 27.66 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.78 -0.822 . . . . 63.039999999999999 108.78 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -77.5 123.26 26.35 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.539 -0.755 . . . . 65.310000000000002 111.729 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.72 118.0 21.89 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 108.934 -0.765 . . . . 73.099999999999994 108.934 171.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.7 p-90 -78.15 -17.87 56.31 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.038 -0.528 . . . . 71.109999999999999 111.671 -174.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -148.05 136.22 21.26 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.801 -0.636 . . . . 71.120000000000005 109.353 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -139.76 161.95 36.32 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.129 -0.941 . . . . 74.329999999999998 109.816 172.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -134.47 137.2 43.74 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.271 -0.64 . . . . 71.239999999999995 109.271 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.441 HD22 HD13 ' A' ' 14' ' ' LEU . 13.4 mt -105.46 139.09 40.61 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 108.106 -1.072 . . . . 75.349999999999994 108.106 178.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.566 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 51.1 t-20 -76.78 98.64 4.87 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.834 -0.802 . . . . 74.329999999999998 108.834 176.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -73.94 -37.57 64.53 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.16 0.913 . . . . 71.25 112.071 -168.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -62.55 -39.49 93.8 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.891 0.744 . . . . 74.439999999999998 111.267 177.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.0 tp -76.14 -29.4 57.78 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.949 -0.569 . . . . 61.140000000000001 111.634 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 61.0 mt -78.39 -21.27 49.58 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.047 0.388 . . . . 75.230000000000004 112.047 178.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.29 -38.78 78.48 Favored 'General case' 0 C--O 1.225 -0.193 0 O-C-N 123.651 0.594 . . . . 71.200000000000003 109.83 172.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -77.36 -27.49 52.63 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.947 0.779 . . . . 72.329999999999998 111.027 178.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.33 -39.55 85.83 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.54 0.525 . . . . 72.519999999999996 111.345 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.39 -29.41 47.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.343 -0.844 . . . . 64.129999999999995 110.756 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.18 -46.04 82.42 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.7 0.8 . . . . 64.319999999999993 110.001 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.73 -31.86 61.96 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 115.832 -0.622 . . . . 72.230000000000004 111.422 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.35 87.4 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.535 0.198 . . . . 53.109999999999999 111.535 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -71.38 -19.54 62.26 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.467 0.543 . . . . 73.420000000000002 112.467 174.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.32 -3.12 58.61 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 119.249 -0.405 . . . . 74.310000000000002 111.909 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.7 t70 68.17 23.47 7.91 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 125.405 1.482 . . . . 72.310000000000002 111.47 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -108.51 135.62 20.0 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.56 -0.745 . . . . 73.219999999999999 109.067 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -67.06 125.8 14.17 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.466 2.111 . . . . 63.409999999999997 112.32 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -92.05 120.63 32.86 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.696 0.76 . . . . 72.409999999999997 110.839 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.34 131.98 54.51 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.45 -1.25 . . . . 75.540000000000006 109.379 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.8 t -151.68 139.48 19.87 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.349 -0.982 . . . . 73.510000000000005 108.349 175.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -113.11 14.62 19.55 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.15 0.5 . . . . 64.129999999999995 110.233 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.4 177.64 8.65 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.592 -0.731 . . . . 65.329999999999998 109.37 173.304 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.4 p-90 -73.44 149.24 42.53 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 109.915 -0.402 . . . . 72.219999999999999 109.915 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.36 -20.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.023 0.439 . . . . 64.319999999999993 110.707 172.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -133.02 132.13 41.5 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.562 -0.29 . . . . 73.030000000000001 110.659 -176.835 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.81 99.62 5.61 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.798 -0.816 . . . . 24.129999999999999 108.798 170.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.451 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -103.24 108.62 24.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.497 -0.774 . . . . 62.210000000000001 109.999 -177.593 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -100.2 132.51 45.52 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 122.342 1.067 . . . . 65.129999999999995 109.77 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.2 m -131.78 122.03 25.14 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 114.235 -1.348 . . . . 75.129999999999995 109.852 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' A' ' 66' ' ' THR . 7.8 mp -108.35 103.52 12.69 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.211 -1.033 . . . . 75.219999999999999 108.211 173.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -102.85 98.31 8.32 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.998 -1.112 . . . . 74.430000000000007 107.998 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.23 -102.18 2.39 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.383 -1.087 . . . . 71.319999999999993 110.383 -168.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -139.54 45.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 72.310000000000002 110.686 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 10.7 t -107.19 126.47 52.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.429 0.633 . . . . 71.510000000000005 110.035 172.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -91.96 98.32 11.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.65 -0.705 . . . . 72.329999999999998 109.667 174.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -130.82 119.52 22.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.978 -0.555 . . . . 71.340000000000003 110.395 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -122.72 125.66 45.97 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.75 -0.659 . . . . 71.340000000000003 109.739 175.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.451 ' HB2' HG23 ' A' ' 59' ' ' VAL . 13.1 m-90 -95.62 125.06 39.95 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.48 -0.933 . . . . 73.450000000000003 108.48 174.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 73.1 mtp85 -110.15 112.0 23.71 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 109.039 -0.726 . . . . 74.030000000000001 109.039 176.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -101.5 140.64 35.51 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.489 -0.778 . . . . 75.25 109.052 -173.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.8 p -81.82 163.01 22.63 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.002 0.814 . . . . 73.120000000000005 110.917 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.409 ' O ' ' HG2' ' A' ' 78' ' ' MET . 72.0 t80 -63.93 -40.68 97.02 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.095 -0.957 . . . . 73.219999999999999 111.362 -178.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.72 -27.49 63.04 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.492 0.553 . . . . 72.430000000000007 112.492 -178.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.97 -27.81 63.02 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 123.724 0.64 . . . . 64.040000000000006 111.438 174.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 24.7 t -79.94 -27.51 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 123.918 0.887 . . . . 65.530000000000001 111.324 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 74' ' ' TYR . 95.2 mmm -79.1 -30.5 43.84 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 122.372 -0.205 . . . . 65.450000000000003 111.484 177.259 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -90.85 3.78 53.57 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 119.425 -0.321 . . . . 70.109999999999999 111.827 175.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.71 117.96 6.5 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 123.585 0.553 . . . . 74.340000000000003 110.758 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -85.68 129.09 56.15 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 114.524 -1.216 . . . . 63.210000000000001 110.697 -169.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -67.81 117.95 5.26 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 121.386 1.391 . . . . 75.040000000000006 111.969 176.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -85.88 179.19 7.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.446 -0.797 . . . . 72.200000000000003 109.597 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.94 -7.25 51.63 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.233 1.197 . . . . 64.099999999999994 114.233 -168.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -83.35 -22.01 32.97 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.484 0.183 . . . . 63.310000000000002 110.846 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.04 -15.52 21.24 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 116.213 -0.449 . . . . 74.239999999999995 113.578 -175.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -108.62 -26.74 10.22 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 109.408 -0.59 . . . . 64.310000000000002 109.408 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.1 m -84.4 140.73 31.34 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 114.704 -1.135 . . . . 63.329999999999998 110.968 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.461 ' CD1' HD13 ' A' ' 10' ' ' LEU . 66.0 m95 -126.39 142.3 51.58 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.014 -0.994 . . . . 71.340000000000003 108.766 177.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -88.76 111.45 22.02 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.742 -0.836 . . . . 74.530000000000001 108.742 174.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.26 101.29 12.91 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.332 -0.849 . . . . 74.450000000000003 108.754 176.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 p -83.57 125.72 32.08 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.196 -0.911 . . . . 62.130000000000003 110.321 178.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.8 p -130.55 -178.22 4.68 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.371 -0.832 . . . . 72.010000000000005 110.142 -176.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.39 -15.19 81.72 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.754 -0.538 . . . . 72.299999999999997 111.754 170.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -79.44 -32.64 42.8 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.324 0.65 . . . . 72.200000000000003 110.467 172.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 153.93 -110.7 0.46 Allowed Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.261 -0.495 . . . . 15.119999999999999 112.823 177.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -149.26 134.21 18.01 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.677 -0.861 . . . . 72.519999999999996 108.677 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -127.7 137.04 52.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.797 -0.446 . . . . 71.340000000000003 109.797 -176.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.491 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 18.8 tt0 -87.83 100.54 12.94 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.487 -0.56 . . . . 73.310000000000002 109.487 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 2.5 mt -95.05 108.99 21.09 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.809 -0.441 . . . . 64.129999999999995 109.809 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 101' ' ' ARG . 12.8 ttp180 -115.92 125.95 53.26 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-O 121.492 0.663 . . . . 72.209999999999994 110.466 -177.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 59.7 m -92.69 120.95 33.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.868 -1.06 . . . . 62.020000000000003 111.138 -175.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 19' ' ' MET . 3.3 mt -126.13 171.58 10.74 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.724 -0.671 . . . . 74.450000000000003 109.514 -179.13 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -143.84 73.99 0.33 Allowed Glycine 0 N--CA 1.44 -1.043 0 C-N-CA 120.738 -0.744 . . . . 64.310000000000002 111.701 -176.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.99 8.27 26.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.208 0.528 . . . . 52.420000000000002 111.571 -174.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.6 t -115.62 -44.35 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.433 -0.803 . . . . 63.439999999999998 110.441 -176.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.4 m 59.15 94.63 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 O-C-N 125.556 1.785 . . . . 70.230000000000004 110.924 -170.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.56 80.38 7.93 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.549 -0.75 . . . . 73.519999999999996 111.773 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.6 p -144.68 78.54 1.57 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-N 114.675 -1.148 . . . . 55.240000000000002 108.681 172.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -98.46 -138.15 10.11 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.558 -0.746 . . . . 43.030000000000001 114.181 -170.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -115.03 14.58 17.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.327 -0.437 . . . . 54.32 111.277 -174.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -75.45 133.25 41.14 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.032 -0.531 . . . . 63.210000000000001 110.371 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 N--CA 1.48 1.036 0 C-N-CA 126.222 1.809 . . . . 72.310000000000002 112.111 -174.015 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 111.839 -0.504 . . . . 45.399999999999999 111.839 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m -83.37 93.33 7.73 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.442 0.639 . . . . 74.030000000000001 111.367 -177.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.68 -9.9 30.72 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.233 -0.894 . . . . 75.420000000000002 109.958 169.583 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -70.67 128.67 36.89 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 114.596 -1.184 . . . . 70.109999999999999 108.885 172.738 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 p -64.67 -34.63 78.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.903 0.752 . . . . 70.310000000000002 111.624 176.498 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.4 m 60.93 57.91 2.46 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.069 1.481 . . . . 72.200000000000003 110.339 175.452 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -78.47 78.49 4.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.717 -1.129 . . . . 74.230000000000004 109.504 166.449 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.431 ' O ' ' HH2' ' A' ' 89' ' ' TRP . 0.3 OUTLIER -119.72 62.56 0.82 Allowed 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 106.447 -1.686 . . . . 62.130000000000003 106.447 172.37 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -99.93 167.79 10.28 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 114.967 -1.015 . . . . 73.319999999999993 108.55 177.681 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.543 HD13 ' CD1' ' A' ' 89' ' ' TRP . 47.6 tp -65.97 -30.5 71.08 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 117.825 0.284 . . . . 73.129999999999995 110.305 174.205 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.5 tp -65.7 -31.76 72.94 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.663 -0.699 . . . . 73.019999999999996 111.5 175.573 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -82.31 -30.4 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.925 0.393 . . . . 61.25 110.205 177.834 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -71.47 -37.25 71.36 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.48 -0.782 . . . . 33.140000000000001 113.02 -178.345 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -70.98 -21.11 62.35 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 120.941 0.4 . . . . 61.299999999999997 111.945 -178.444 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -67.48 -21.82 65.5 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.546 -0.752 . . . . 75.310000000000002 112.526 173.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -127.34 20.85 6.73 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.85 0.46 . . . . 71.030000000000001 111.478 178.177 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.31 140.94 38.46 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 120.639 -0.424 . . . . 72.209999999999994 110.635 179.211 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -106.48 -45.23 4.3 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.461 -0.791 . . . . 73.409999999999997 109.549 177.762 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 28.2 ttp -111.79 130.08 55.92 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.404 -0.816 . . . . 71.439999999999998 109.526 175.796 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.1 tp -121.53 126.4 49.1 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.721 -0.844 . . . . 73.219999999999999 108.721 176.576 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.653 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 30.1 tt0 -98.29 152.45 19.41 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.427 -0.806 . . . . 62.420000000000002 109.797 -177.431 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.507 ' CG1' ' HB3' ' A' ' 98' ' ' TYR . 15.5 tt -134.35 107.64 9.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 CA-C-O 121.699 0.762 . . . . 54.420000000000002 110.969 175.252 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 54.96 42.9 30.68 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.537 1.535 . . . . 73.430000000000007 111.984 175.836 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.0 -17.98 58.29 Favored Glycine 0 C--N 1.343 0.945 0 O-C-N 121.816 -0.553 . . . . 62.530000000000001 113.771 178.604 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tt -102.34 115.15 29.97 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.684 -0.858 . . . . 72.319999999999993 108.684 -177.584 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 42.8 p-80 -75.38 131.18 40.04 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.444 -0.502 . . . . 70.519999999999996 110.205 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.02 146.01 35.6 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.295 -0.632 . . . . 75.349999999999994 109.295 173.116 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 -79.88 -22.77 42.44 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 109.533 -0.543 . . . . 75.340000000000003 109.533 179.365 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -156.37 144.78 19.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.839 -0.618 . . . . 73.129999999999995 110.165 -176.435 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -129.7 151.04 50.73 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.72 -0.474 . . . . 72.430000000000007 109.72 165.707 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -122.33 144.49 48.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.943 -0.571 . . . . 73.129999999999995 110.128 -176.818 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.7 mt -113.69 140.16 48.46 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.464 -0.789 . . . . 64.519999999999996 110.609 -177.784 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.439 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 49.1 t-20 -82.29 91.4 6.77 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 108.546 -0.909 . . . . 61.299999999999997 108.546 171.586 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.42 -23.11 56.95 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.799 -0.637 . . . . 74.430000000000007 112.446 -172.834 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -68.39 -39.97 81.5 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 122.979 0.512 . . . . 71.120000000000005 110.9 172.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.3 tp -79.15 -25.39 42.87 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.036 -0.529 . . . . 74.239999999999995 111.009 178.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 79.2 mt -81.28 -18.66 45.1 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.518 -0.31 . . . . 70.25 111.575 177.038 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.05 -42.0 76.87 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.625 -0.88 . . . . 75.549999999999997 108.625 170.404 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -75.89 -22.28 56.29 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.282 -0.872 . . . . 72.5 111.711 178.78 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.6 -40.98 76.32 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.37 -0.377 . . . . 61.43 111.06 174.108 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -74.2 -31.9 62.84 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.882 -0.599 . . . . 64.409999999999997 110.076 177.148 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.71 -48.18 81.93 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.393 1.077 . . . . 71.439999999999998 110.973 178.353 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.58 79.81 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 123.479 0.487 . . . . 75.530000000000001 111.011 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.92 -25.62 63.75 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 120.922 0.391 . . . . 54.219999999999999 111.857 178.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -77.57 -18.49 56.86 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.028 0.531 . . . . 71.099999999999994 111.44 171.852 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.85 14.11 31.48 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 122.472 0.309 . . . . 74.420000000000002 111.586 176.716 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.7 t70 76.54 -1.46 2.88 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.295 1.438 . . . . 74.400000000000006 112.119 176.339 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -93.66 144.59 28.45 Favored Pre-proline 0 C--N 1.315 -0.907 0 O-C-N 121.349 -0.844 . . . . 75.340000000000003 111.416 -173.245 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.33 126.56 9.84 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 121.786 1.658 . . . . 62.310000000000002 110.42 166.063 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -78.81 132.54 36.9 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.475 -0.49 . . . . 63.210000000000001 110.155 178.737 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -136.67 119.85 16.67 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.101 -0.954 . . . . 74.010000000000005 109.418 177.499 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.2 t -136.27 149.46 48.48 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.587 -0.733 . . . . 71.120000000000005 109.066 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -108.69 12.3 25.89 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.967 0.413 . . . . 72.25 110.896 176.542 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.82 163.23 23.6 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 108.571 -0.9 . . . . 63.399999999999999 108.571 171.228 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 5.4 p-90 -65.58 151.39 46.56 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.292 0.37 . . . . 63.399999999999999 110.497 -178.382 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 p -137.7 -22.6 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 120.444 -0.502 . . . . 64.120000000000005 111.428 173.063 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -137.36 122.13 18.71 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.822 -0.436 . . . . 74.430000000000007 109.822 -172.365 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.81 110.43 14.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.548 -0.751 . . . . 72.140000000000001 110.162 177.232 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -100.63 108.14 22.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.121 0.486 . . . . 53.219999999999999 110.857 -179.353 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.11 131.17 47.18 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.412 0.625 . . . . 71.310000000000002 109.761 177.319 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 m -118.99 159.42 23.88 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.566 -1.197 . . . . 74.230000000000004 109.564 178.058 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.0 mt -122.99 105.09 9.67 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.418 0.628 . . . . 74.420000000000002 110.045 172.78 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -102.55 94.68 5.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.09 -0.959 . . . . 72.200000000000003 109.025 177.104 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.14 -124.03 6.27 Favored Glycine 0 N--CA 1.44 -1.04 0 N-CA-C 108.963 -1.655 . . . . 61.0 108.963 -164.047 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -118.73 76.0 1.07 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 122.498 1.142 . . . . 74.510000000000005 108.115 165.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.7 m -142.62 108.79 5.23 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 113.284 -1.78 . . . . 71.340000000000003 109.116 -172.497 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -77.82 99.42 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.669 -0.696 . . . . 74.409999999999997 109.525 179.169 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -116.7 113.31 22.45 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.705 -0.68 . . . . 61.439999999999998 109.591 -172.599 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -125.48 134.75 51.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.285 0.564 . . . . 64.420000000000002 111.724 -171.686 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 17.9 m-90 -111.18 124.84 53.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.026 -0.988 . . . . 74.329999999999998 109.092 171.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -108.89 128.34 54.83 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.422 0.629 . . . . 71.140000000000001 110.775 178.415 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -117.55 139.75 50.54 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.638 -1.165 . . . . 62.109999999999999 109.628 -178.247 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.5 m -72.44 161.44 30.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.164 -0.925 . . . . 62.530000000000001 110.514 178.199 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -59.97 -39.04 84.26 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.451 0.7 . . . . 54.409999999999997 110.503 176.451 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -62.25 -42.79 99.64 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.781 0.676 . . . . 72.450000000000003 111.728 175.181 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.472 ' HB1' HD11 ' A' ' 91' ' ' LEU . . . -67.26 -36.57 81.86 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 123.774 0.671 . . . . 73.150000000000006 111.856 -179.287 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.1 -27.41 17.97 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 123.221 0.608 . . . . 64.420000000000002 112.086 178.212 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.29 -36.85 63.8 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.261 -0.274 . . . . 73.409999999999997 111.508 174.201 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -89.09 3.36 52.05 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 112.581 0.586 . . . . 43.439999999999998 112.581 -175.767 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.495 ' HB1' ' HB3' ' A' ' 89' ' ' TRP . . . -57.08 125.61 23.45 Favored 'General case' 0 CA--C 1.519 -0.221 0 O-C-N 123.931 0.769 . . . . 71.129999999999995 111.317 179.418 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -79.84 123.81 83.61 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.148 -0.933 . . . . 74.310000000000002 111.42 -171.001 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -67.92 122.63 9.76 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.07 1.847 . . . . 74.340000000000003 111.779 175.298 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -88.75 178.88 6.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.901 -0.591 . . . . 62.130000000000003 109.774 177.481 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.73 -16.05 61.19 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 111.932 0.345 . . . . 61.32 111.932 -179.161 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -73.65 -23.3 59.84 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.113 0.565 . . . . 63.219999999999999 111.428 176.353 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.29 -17.84 9.36 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 114.518 0.567 . . . . 75.219999999999999 114.518 174.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 3.8 mp0 -114.76 -10.12 12.45 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 117.098 0.449 . . . . 71.319999999999993 109.873 173.608 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.7 m -92.05 135.99 33.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.249 0.547 . . . . 51.219999999999999 110.401 178.465 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.543 ' CD1' HD13 ' A' ' 10' ' ' LEU . 70.6 m95 -128.27 125.21 38.41 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 115.284 -0.871 . . . . 73.010000000000005 110.39 -178.283 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -81.46 108.25 14.9 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.019 -0.734 . . . . 73.510000000000005 109.019 173.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.472 HD11 ' HB1' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -90.21 99.17 12.24 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 107.297 -1.372 . . . . 65.319999999999993 107.297 176.539 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.71 128.87 40.13 Favored 'General case' 0 N--CA 1.432 -1.332 0 CA-C-N 115.529 -0.76 . . . . 74.209999999999994 109.512 177.446 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.8 p -124.68 -172.91 2.67 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.605 -1.18 . . . . 74.239999999999995 109.615 -175.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -76.05 -16.27 80.8 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 116.104 -0.498 . . . . 71.530000000000001 111.882 170.376 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -88.28 -48.81 7.39 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.082 0.553 . . . . 72.239999999999995 110.835 179.155 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -178.42 -128.39 1.17 Allowed Glycine 0 C--N 1.341 0.85 0 C-N-CA 120.669 -0.777 . . . . 72.420000000000002 114.17 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -145.3 122.22 11.32 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.777 0.831 . . . . 74.409999999999997 110.196 -173.532 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.507 ' HB3' ' CG1' ' A' ' 22' ' ' ILE . 76.1 m-85 -131.33 115.01 15.7 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.773 -0.649 . . . . 74.049999999999997 109.714 -173.238 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -87.57 103.89 15.98 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 119.846 -0.742 . . . . 60.109999999999999 111.158 -173.157 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.653 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 78.2 mt -89.71 109.91 20.85 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 109.339 -0.615 . . . . 73.129999999999995 109.339 -177.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 30.3 ttp180 -110.24 116.2 31.06 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 121.357 0.599 . . . . 73.219999999999999 110.341 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.6 p -82.49 124.74 30.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.731 -1.122 . . . . 73.439999999999998 111.097 -176.156 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.7 mt -128.93 154.72 46.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.631 -1.168 . . . . 64.099999999999994 109.058 -176.096 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.05 179.47 44.31 Favored Glycine 0 C--O 1.239 0.457 0 C-N-CA 120.519 -0.848 . . . . 40.100000000000001 112.067 -177.628 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.46 24.59 1.91 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.963 0.411 . . . . 70.230000000000004 111.111 -179.288 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.2 t -124.71 110.78 25.92 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 N-CA-C 109.061 -0.718 . . . . 61.229999999999997 109.061 -173.763 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.2 m -43.09 116.75 0.95 Allowed 'General case' 0 N--CA 1.475 0.778 0 O-C-N 125.381 1.676 . . . . 65.129999999999995 113.534 175.336 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -106.98 101.12 10.57 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.056 0.455 . . . . 70.219999999999999 111.26 179.442 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.4 m -140.51 140.21 35.23 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.747 -0.66 . . . . 72.340000000000003 109.374 177.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -107.62 -111.08 3.49 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 120.523 -0.846 . . . . 40.240000000000002 114.131 -172.022 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -162.15 -45.39 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.794 0.438 . . . . 74.319999999999993 111.049 -171.501 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -169.16 -67.55 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 107.689 -1.226 . . . . 72.340000000000003 107.689 -177.613 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 C--O 1.252 1.212 0 N-CA-C 108.479 -0.934 . . . . 71.340000000000003 108.479 171.328 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.883 0 N-CA-C 111.938 -0.465 . . . . 51.450000000000003 111.938 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 p -123.51 -33.14 3.27 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.543 0.942 . . . . 63.310000000000002 113.543 -174.523 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -80.23 -35.4 36.2 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.934 0.716 . . . . 73.329999999999998 112.934 -171.479 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 63.6 mtm -80.3 124.08 28.54 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 107.381 -1.34 . . . . 64.519999999999996 107.381 170.528 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.56 -62.76 1.59 Allowed 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 118.419 -0.8 . . . . 63.439999999999998 109.543 -175.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 54.29 30.11 11.91 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.337 1.055 . . . . 72.209999999999994 113.176 171.278 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 62.16 -80.16 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.59 1.156 . . . . 74.040000000000006 110.698 -160.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.3 mtm105 66.94 105.32 0.04 OUTLIER 'General case' 0 CA--C 1.489 -1.367 0 C-N-CA 126.004 1.722 . . . . 71.450000000000003 111.878 178.268 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -93.4 169.86 10.05 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-N 113.8 -1.545 . . . . 73.120000000000005 107.096 165.831 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.562 HD13 ' CD1' ' A' ' 89' ' ' TRP . 22.1 tp -65.2 -24.59 67.4 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 110.174 -0.306 . . . . 70.230000000000004 110.174 175.222 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.6 HD11 HD22 ' A' ' 37' ' ' LEU . 43.8 tp -66.05 -29.97 70.41 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.618 0.767 . . . . 73.019999999999996 112.495 176.127 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -80.62 -35.75 33.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.08 0.467 . . . . 63.329999999999998 110.329 176.542 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.54 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 24.6 mm-40 -74.42 -29.4 61.49 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.533 0.938 . . . . 71.120000000000005 113.533 -175.426 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -74.94 -21.63 59.07 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.395 0.517 . . . . 53.329999999999998 112.395 -179.032 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -70.84 -31.26 67.92 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.528 0.518 . . . . 71.109999999999999 111.438 177.436 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -104.15 2.68 32.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.625 0.602 . . . . 44.149999999999999 112.625 -178.477 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.49 130.45 35.05 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.765 0.317 . . . . 45.539999999999999 111.397 -178.449 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.464 ' HB3' ' O ' ' A' ' 106' ' ' VAL . 16.9 m-20 -92.15 -38.92 11.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.915 0.865 . . . . 74.420000000000002 109.426 175.2 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.3 ttp -128.64 140.56 51.7 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.216 -1.356 . . . . 72.540000000000006 109.427 178.541 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 20' ' ' LEU . 14.0 mt -116.08 129.85 56.54 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.469 0.652 . . . . 73.140000000000001 110.172 173.644 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -104.42 146.03 29.42 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.301 -1.318 . . . . 72.329999999999998 108.746 176.488 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.54 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.3 tt -135.87 114.3 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.12 0 CA-C-O 121.724 0.773 . . . . 60.020000000000003 110.235 172.13 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 t70 63.22 24.9 14.56 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 114.286 -1.324 . . . . 72.310000000000002 111.841 176.211 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.64 -17.96 55.8 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 121.231 -0.509 . . . . 35.009999999999998 113.376 -178.685 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 tp -93.53 126.53 38.74 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.81 -0.441 . . . . 75.409999999999997 109.81 179.121 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -87.38 123.84 32.75 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.064 -0.516 . . . . 70.239999999999995 110.659 -174.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.31 131.54 35.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.877 -0.601 . . . . 73.129999999999995 110.293 178.555 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.7 p-90 -78.1 -28.39 48.66 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.108 0.48 . . . . 71.430000000000007 110.718 -176.735 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -134.18 134.82 42.54 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 121.785 0.802 . . . . 75.140000000000001 109.031 -179.232 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 40.7 p90 -133.12 152.59 51.94 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 113.906 -1.497 . . . . 62.329999999999998 107.808 169.693 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -129.45 133.13 47.15 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 109.087 -0.709 . . . . 74.310000000000002 109.087 -178.184 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.6 mt -101.63 136.75 40.95 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 107.76 -1.2 . . . . 60.5 107.76 176.089 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.568 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.5 t-20 -78.27 90.99 4.36 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 108.519 -0.919 . . . . 74.25 108.519 177.063 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -66.57 -36.41 82.59 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.84 0.856 . . . . 65.439999999999998 112.064 -172.217 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.421 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 23.7 t-20 -55.34 -50.56 69.34 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 124.391 1.057 . . . . 64.019999999999996 111.386 173.383 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.6 tp -77.68 -24.84 49.22 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 115.854 -0.612 . . . . 71.25 111.7 -176.252 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.6 HD22 HD11 ' A' ' 11' ' ' LEU . 21.0 mt -83.32 -22.57 32.86 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.196 0.443 . . . . 53.43 112.196 179.464 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.48 -38.82 84.98 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.559 -0.904 . . . . 70.409999999999997 108.559 171.052 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 35' ' ' ASN . 85.4 mt-30 -74.59 -30.2 61.6 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 114.981 -1.009 . . . . 74.129999999999995 111.99 177.852 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.93 -41.92 67.27 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.444 0.465 . . . . 64.120000000000005 111.855 -178.702 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -71.4 -36.88 71.51 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.747 -0.66 . . . . 61.299999999999997 110.487 176.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.65 -36.89 85.31 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.259 1.024 . . . . 52.420000000000002 111.692 178.066 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.27 -44.25 53.64 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.912 -0.586 . . . . 74.409999999999997 111.018 177.587 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.44 -36.8 83.55 Favored 'General case' 0 C--O 1.224 -0.238 0 O-C-N 124.042 0.839 . . . . 74.0 112.244 -179.186 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.48 -14.86 61.31 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.519 0.563 . . . . 73.329999999999998 112.519 177.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.95 11.58 37.2 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.263 0.225 . . . . 73.120000000000005 111.412 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.0 t70 75.53 -4.08 2.45 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 126.064 1.746 . . . . 64.239999999999995 112.576 177.913 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -78.98 124.07 84.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 121.692 -0.63 . . . . 71.420000000000002 110.203 -176.254 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -70.51 122.78 9.24 Favored 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 121.875 1.716 . . . . 74.140000000000001 110.996 174.804 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -89.62 120.05 30.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.359 0.6 . . . . 71.299999999999997 110.963 -170.297 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.56 121.93 39.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.371 -0.831 . . . . 62.229999999999997 110.106 177.742 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 p -145.07 134.15 22.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.545 0.688 . . . . 43.140000000000001 110.567 174.625 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -94.04 18.14 11.18 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.039 -0.982 . . . . 65.299999999999997 111.86 177.703 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -84.73 172.0 11.87 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 108.521 -0.918 . . . . 74.239999999999995 108.521 172.535 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.1 p-90 -77.0 157.07 31.42 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 120.878 0.37 . . . . 75.219999999999999 110.355 -179.494 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.502 HG23 HD21 ' A' ' 37' ' ' LEU . 13.6 p -133.42 -28.21 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.084 0.469 . . . . 55.210000000000001 111.096 175.495 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.98 126.6 36.45 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.499 -0.556 . . . . 72.209999999999994 109.499 -172.723 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 30' ' ' PHE . . . -128.62 102.41 6.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.253 -0.43 . . . . 75.430000000000007 109.944 173.214 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.428 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -101.82 116.1 44.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.81 -0.811 . . . . 71.5 108.81 179.697 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -113.76 135.09 54.33 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.83 0.824 . . . . 71.140000000000001 110.146 176.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.8 t -133.73 129.84 37.27 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.014 -0.993 . . . . 72.319999999999993 110.176 -175.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' A' ' 66' ' ' THR . 65.2 mt -87.46 107.89 18.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.095 0.474 . . . . 71.25 110.598 179.369 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -115.45 98.05 6.51 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.471 -0.786 . . . . 74.439999999999998 109.199 -176.788 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.59 -90.49 1.44 Allowed Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 114.984 -1.007 . . . . 45.130000000000003 111.366 -173.006 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -141.87 30.99 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.698 0.399 . . . . 73.329999999999998 111.369 -179.016 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 7.4 t -140.03 146.24 38.77 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.317 -0.553 . . . . 74.099999999999994 112.074 -178.531 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.9 mtm105 -85.33 103.82 14.6 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 108.071 -1.085 . . . . 75.540000000000006 108.071 167.171 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -89.84 115.34 27.09 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 106.656 -1.609 . . . . 75.019999999999996 106.656 172.094 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -124.21 127.86 48.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.317 0.58 . . . . 64.519999999999996 111.461 -167.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.428 ' HB2' HG23 ' A' ' 59' ' ' VAL . 8.8 m-90 -114.1 124.09 51.25 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.504 -0.925 . . . . 75.519999999999996 108.504 177.486 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -119.0 129.7 55.29 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.276 0.56 . . . . 63.119999999999997 109.968 178.593 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -115.32 145.15 42.77 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.883 -1.053 . . . . 74.010000000000005 110.575 -175.359 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.6 m -76.93 160.82 28.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.229 0.955 . . . . 72.329999999999998 110.228 175.476 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -63.43 -43.89 96.13 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.758 -0.656 . . . . 62.32 112.054 -176.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -76.58 -20.02 57.26 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.409 0.443 . . . . 73.430000000000007 112.066 -177.742 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.17 -40.36 86.61 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.026 0.441 . . . . 53.409999999999997 111.036 168.888 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.2 t -69.31 -29.22 41.54 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 C-N-CA 123.644 0.778 . . . . 72.0 111.752 172.674 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 19.2 mmt -67.12 -40.42 86.83 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.906 0.336 . . . . 73.299999999999997 111.906 175.799 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -91.43 2.23 56.56 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.593 0.59 . . . . 73.400000000000006 112.593 -178.839 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 121.28 13.3 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.321 0.581 . . . . 63.350000000000001 111.049 179.623 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -85.19 129.39 55.99 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 114.634 -1.166 . . . . 71.209999999999994 111.783 -168.876 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -66.38 125.75 14.47 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 121.931 1.754 . . . . 64.310000000000002 112.193 174.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -85.38 178.82 7.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.349 -0.841 . . . . 73.299999999999997 110.82 -179.306 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.83 -20.44 62.56 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.72 -0.673 . . . . 62.240000000000002 111.642 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -72.42 -23.86 61.15 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.727 -0.669 . . . . 75.109999999999999 111.193 173.491 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.06 -16.19 17.56 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 114.894 0.717 . . . . 52.240000000000002 114.894 175.449 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 27.6 mt-10 -118.27 -13.11 9.87 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 117.342 0.571 . . . . 71.010000000000005 110.297 177.804 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.1 m -87.86 142.64 27.65 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.755 -0.657 . . . . 65.209999999999994 109.776 173.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.562 ' CD1' HD13 ' A' ' 10' ' ' LEU . 72.6 m95 -130.02 132.71 46.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.759 -0.655 . . . . 74.010000000000005 109.283 -178.174 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -86.38 105.57 16.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.434 -0.58 . . . . 74.340000000000003 109.434 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.44 100.75 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.158 -0.928 . . . . 70.349999999999994 108.778 174.693 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 t -90.26 121.33 32.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.03 0.919 . . . . 62.030000000000001 110.321 -179.714 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 73.1 p -122.11 -171.85 2.33 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.663 -1.153 . . . . 52.210000000000001 109.448 -178.087 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.82 -9.51 86.86 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 121.34 -0.457 . . . . 44.130000000000003 112.67 173.792 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -89.58 -50.31 6.16 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.697 -0.482 . . . . 72.120000000000005 109.697 176.801 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 173.03 -122.05 0.9 Allowed Glycine 0 C--N 1.335 0.523 0 CA-C-N 116.015 -0.539 . . . . 65.049999999999997 112.037 -177.272 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.2 123.0 15.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.354 0.597 . . . . 62.109999999999999 110.761 -175.164 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.439 ' HB3' HD11 ' A' ' 22' ' ' ILE . 88.8 m-85 -111.98 122.28 47.32 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.816 -1.083 . . . . 73.540000000000006 108.834 178.872 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.54 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 15.6 tt0 -88.73 101.71 14.27 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.588 -0.278 . . . . 70.129999999999995 110.745 -176.339 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.5 mt -91.49 110.42 21.73 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 109.409 -0.589 . . . . 71.420000000000002 109.409 178.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.457 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 24.2 ttp180 -112.77 127.72 56.23 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.326 0.584 . . . . 75.530000000000001 110.495 -179.705 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.54 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 67.3 m -83.72 118.26 23.78 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.668 -1.151 . . . . 64.329999999999998 110.684 179.111 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.3 mt -119.05 155.54 31.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.316 -1.311 . . . . 74.049999999999997 110.158 -175.248 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -113.56 -164.94 15.78 Favored Glycine 0 N--CA 1.439 -1.123 0 C-N-CA 120.628 -0.796 . . . . 61.439999999999998 112.581 178.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 69.15 22.91 6.61 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.659 1.184 . . . . 74.0 113.733 168.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 87.5 t -119.69 89.9 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 107.578 -1.267 . . . . 70.319999999999993 107.578 171.143 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.2 m 61.81 -161.98 0.28 Allowed 'General case' 0 C--O 1.242 0.692 0 O-C-N 124.474 1.109 . . . . 51.310000000000002 109.246 -167.747 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -150.84 -52.25 0.13 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.262 0.554 . . . . 74.219999999999999 109.751 173.346 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.5 m -91.75 78.42 5.47 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.546 -0.752 . . . . 73.329999999999998 109.857 174.34 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -112.31 15.88 24.93 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.094 -0.957 . . . . 61.520000000000003 111.281 174.372 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -91.49 76.8 5.81 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.131 -0.692 . . . . 72.019999999999996 109.131 -177.746 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -84.15 89.38 7.29 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.473 -0.785 . . . . 70.400000000000006 109.559 -179.072 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 . . . . . 0 C--O 1.246 0.893 0 N-CA-C 108.529 -0.915 . . . . 61.119999999999997 108.529 -176.873 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 . . . . . 0 CA--C 1.49 -1.347 0 N-CA-C 108.585 -0.894 . . . . 72.44 108.585 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -92.96 -176.06 4.08 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 113.646 -1.615 . . . . 72.5 108.744 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.511 HD13 ' CD1' ' A' ' 89' ' ' TRP . 35.9 tp -63.88 -27.67 69.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.558 -0.292 . . . . 61.43 110.241 172.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.633 HD11 HD22 ' A' ' 37' ' ' LEU . 40.1 tp -61.23 -44.33 97.44 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 124.158 0.911 . . . . 71.51 112.119 174.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.95 -33.66 72.22 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.447 0.699 . . . . 71.11 111.526 177.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.97 -41.41 17.34 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.664 0.987 . . . . 73.32 113.664 -172.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.26 -21.53 63.89 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.177 0.806 . . . . 71.44 113.177 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.36 -42.0 96.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.133 0.573 . . . . 72.42 111.898 175.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.7 p -96.86 -10.53 26.33 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.334 0.494 . . . . 74.44 112.334 -176.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.43 ' HB2' ' HB3' ' A' ' 102' ' ' CYS . . . -75.15 154.77 37.55 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 113.072 0.767 . . . . 64.14 113.072 -173.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -110.85 -48.3 3.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.983 -1.008 . . . . 54.22 109.643 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.2 ttp -110.91 151.69 27.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.109 -0.951 . . . . 51.13 109.323 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.6 tp -142.25 123.01 14.3 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 109.815 -0.439 . . . . 75.3 109.815 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.457 ' OE1' ' HD3' ' A' ' 101' ' ' ARG . 43.1 mt-10 -99.76 153.64 18.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.327 -0.249 . . . . 54.54 110.327 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.48 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.0 tt -137.09 108.12 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-O 121.975 0.893 . . . . 64.34 109.933 176.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.4 t0 62.91 24.95 14.83 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 125.055 1.342 . . . . 65.15 111.047 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.8 -11.35 60.88 Favored Glycine 0 CA--C 1.532 1.136 0 O-C-N 121.495 -0.753 . . . . 54.41 112.82 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 tt -93.66 112.42 24.29 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.785 -0.821 . . . . 74.55 108.785 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -75.43 134.12 40.97 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.917 0.389 . . . . 73.23 111.753 -177.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.78 141.55 30.64 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.913 -0.585 . . . . 43.25 110.184 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -90.41 -15.79 30.29 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.654 -0.703 . . . . 74.4 110.458 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -143.07 142.57 31.58 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.538 -0.755 . . . . 73.35 110.26 -175.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -153.93 146.78 24.37 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.47 -0.567 . . . . 74.21 109.47 166.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -126.73 151.63 47.91 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.961 -0.563 . . . . 71.13 110.252 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -122.51 146.72 47.14 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.385 -0.825 . . . . 65.43 111.084 -172.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.648 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.2 t-20 -84.66 85.78 7.39 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.675 -0.861 . . . . 53.33 108.675 173.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -74.46 -26.9 60.33 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.703 0.801 . . . . 72.21 111.456 -170.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -60.39 -43.2 96.87 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.933 1.293 . . . . 61.14 110.999 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.2 tp -77.62 -24.16 49.63 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.737 -0.665 . . . . 65.14 110.899 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 27.8 mt -83.43 -19.63 35.59 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 112.309 0.485 . . . . 74.53 112.309 -176.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.8 -47.27 78.68 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 123.768 0.668 . . . . 75.34 109.334 166.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -71.97 -30.41 65.25 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 124.065 0.853 . . . . 72.12 112.065 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.32 -49.06 68.27 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.449 -0.796 . . . . 43.41 111.144 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -72.2 -31.78 66.18 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 123.608 0.568 . . . . 75.33 111.077 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.19 -41.82 93.77 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.993 0.917 . . . . 74.32 111.389 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.23 -40.11 74.68 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.494 -0.775 . . . . 73.41 110.803 175.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.83 81.97 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 123.229 0.612 . . . . 72.43 111.973 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -69.74 -19.87 63.52 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.784 0.834 . . . . 70.02 111.818 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.1 5.28 52.21 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.167 -0.469 . . . . 72.01 111.303 173.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t70 67.31 25.52 8.75 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.116 1.766 . . . . 74.21 111.626 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -105.77 124.35 36.4 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.505 -0.554 . . . . 50.22 109.505 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -60.83 124.66 15.42 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.486 2.124 . . . . 64.13 112.397 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -99.45 133.12 44.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.746 -0.661 . . . . 72.32 109.467 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -144.53 122.89 12.32 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.749 -0.659 . . . . 33.21 109.819 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.0 t -140.11 139.37 35.81 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.05 -0.722 . . . . 74.23 109.05 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -92.77 15.4 14.68 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.417 0.525 . . . . 64.25 112.417 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -78.49 162.91 26.01 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.334 -0.988 . . . . 63.33 108.334 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 6.5 p-90 -69.01 154.41 42.11 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.092 0.472 . . . . 71.25 110.446 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.463 HG23 HD21 ' A' ' 37' ' ' LEU . 13.6 p -133.14 -26.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 120.951 0.405 . . . . 73.14 110.794 174.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.2 tp -144.71 117.81 8.89 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-O 121.237 0.541 . . . . 75.2 111.415 -168.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.26 112.68 24.79 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.398 -0.819 . . . . 62.14 108.977 171.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.9 t -100.25 116.42 43.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 114.874 -1.057 . . . . 73.32 109.17 -173.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -118.76 121.42 40.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.602 0.715 . . . . 72.45 112.024 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.1 t -117.0 152.28 34.96 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.223 -0.899 . . . . 62.24 108.798 168.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.3 mt -109.18 118.78 37.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.971 -0.751 . . . . 71.35 108.971 173.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -104.91 117.95 35.33 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.517 -1.29 . . . . 73.31 107.517 170.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.04 -110.46 3.33 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 109.311 -1.516 . . . . 74.34 109.311 -163.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 65' ' ' ARG . 28.0 mmt180 -134.36 19.95 3.67 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.263 0.468 . . . . 71.33 112.263 171.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 t -89.48 145.08 25.54 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 109.768 -0.456 . . . . 74.3 109.768 176.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -86.19 125.81 33.81 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.672 -0.492 . . . . 71.24 109.672 176.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 -119.69 114.63 22.48 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.801 -0.814 . . . . 72.34 108.801 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -126.07 122.35 35.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.087 0.47 . . . . 63.42 111.248 -168.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 22.2 m-90 -111.81 123.99 51.42 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.593 -0.891 . . . . 72.41 108.593 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -109.32 128.93 55.48 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 120.194 -0.602 . . . . 72.12 110.468 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -115.35 138.05 51.39 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 114.732 -1.122 . . . . 72.34 110.173 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.8 p -76.31 159.72 30.3 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 123.712 0.632 . . . . 43.44 110.027 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -62.85 -31.91 73.03 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.808 -0.633 . . . . 74.24 110.321 175.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.72 -46.6 84.67 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.254 -0.885 . . . . 75.43 110.796 178.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.17 93.86 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 123.904 0.753 . . . . 60.35 111.671 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.11 -29.08 45.64 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.173 0 C-N-CA 123.918 0.887 . . . . 61.22 112.797 176.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.1 mmt -77.28 -30.12 54.16 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 122.186 -0.321 . . . . 74.24 111.667 172.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -90.05 2.52 55.11 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.306 0.643 . . . . 73.05 111.762 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.85 123.67 26.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.585 -0.734 . . . . 74.22 110.89 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -86.08 130.36 50.44 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 114.825 -1.079 . . . . 72.23 111.969 -171.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -67.54 119.99 7.02 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.038 1.825 . . . . 73.12 111.851 173.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -90.28 172.98 8.39 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.837 -0.62 . . . . 74.34 110.383 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.37 -5.78 50.89 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.131 0.789 . . . . 72.5 113.131 -174.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -75.1 -23.62 57.98 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 122.713 0.405 . . . . 53.44 110.596 172.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.86 -16.05 44.19 Favored Glycine 0 C--N 1.34 0.752 0 CA-C-N 115.902 -0.59 . . . . 71.23 114.297 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.473 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 6.3 mp0 -118.38 -13.96 9.77 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 117.351 0.575 . . . . 73.03 110.67 176.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.3 m -91.93 141.69 28.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.212 0.529 . . . . 73.54 111.62 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.511 ' CD1' HD13 ' A' ' 10' ' ' LEU . 70.0 m95 -128.13 138.66 52.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.362 -0.835 . . . . 75.23 110.042 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -94.26 102.57 14.58 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.846 0.355 . . . . 73.01 110.342 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.437 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 4.5 mm? -91.85 98.38 11.56 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 115.715 -0.675 . . . . 71.51 109.272 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.0 p -97.03 98.11 9.79 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-O 121.873 0.844 . . . . 64.23 110.303 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.9 p -106.92 176.2 5.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.601 -1.181 . . . . 74.04 109.086 -175.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -79.36 -6.9 88.8 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 121.326 -0.464 . . . . 50.43 112.069 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -93.3 -35.48 13.05 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 122.354 0.262 . . . . 64.11 110.61 173.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.34 179.7 39.85 Favored Glycine 0 N--CA 1.444 -0.81 0 O-C-N 123.328 0.392 . . . . 73.43 112.78 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 91' ' ' LEU . . . -96.37 131.39 42.97 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 110.047 -0.353 . . . . 52.35 110.047 177.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.404 ' O ' ' HB2' ' A' ' 91' ' ' LEU . 93.9 m-85 -131.69 120.03 22.19 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.631 0.772 . . . . 75.2 110.021 -175.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.48 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 38.7 tt0 -87.05 101.6 13.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.181 -0.463 . . . . 71.43 110.616 -176.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.1 mt -93.21 111.9 23.68 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 120.868 0.366 . . . . 53.22 110.806 -177.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.473 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 32.4 ttt180 -116.29 108.46 16.12 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 115.891 -0.595 . . . . 74.13 110.134 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.43 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 12.8 m -83.69 124.43 30.84 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.296 0.569 . . . . 72.35 110.593 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 N--CA 1.447 -0.602 0 CA-C-N 114.986 -1.006 . . . . 63.23 110.835 -176.268 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 . . . . . 0 N--CA 1.446 -0.627 0 N-CA-C 108.413 -0.958 . . . . 75.1 108.413 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -100.41 167.51 10.34 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.773 -1.195 . . . . 75.02 107.773 170.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.493 HD13 ' CD1' ' A' ' 89' ' ' TRP . 48.9 tp -62.33 -30.95 71.53 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 123.13 0.268 . . . . 64.01 110.892 178.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.403 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 67.5 mt -58.89 -49.73 76.68 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 123.82 0.7 . . . . 71.52 111.899 172.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -64.19 -34.17 77.48 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.044 0.45 . . . . 75.14 111.068 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -69.17 -42.91 75.25 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.434 -0.803 . . . . 62.31 111.895 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.468 HD22 HD23 ' A' ' 57' ' ' LEU . 3.4 pp -75.19 -21.95 58.34 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 112.69 0.626 . . . . 75.12 112.69 -177.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 22.9 mm-40 -61.39 -37.34 83.09 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.321 0.648 . . . . 64.43 111.794 173.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 p -119.04 23.15 11.54 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 111.965 0.358 . . . . 75.0 111.965 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.2 130.9 34.8 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.642 -0.503 . . . . 71.4 109.642 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -94.54 -52.26 4.39 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.667 -0.864 . . . . 71.24 108.667 172.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.0 ttp -114.78 130.01 56.78 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.55 -1.205 . . . . 74.1 109.381 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.5 tp -122.6 128.89 51.27 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.387 0.613 . . . . 65.04 109.662 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.491 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 5.3 tt0 -109.65 152.49 25.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.883 -1.053 . . . . 75.21 110.437 -174.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.677 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 7.2 tt -137.24 112.88 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.202 0 CA-C-O 121.818 0.818 . . . . 74.33 110.869 173.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.34 26.86 16.06 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.684 1.194 . . . . 71.43 113.439 176.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.29 -20.64 47.81 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 120.927 -0.654 . . . . 33.11 112.907 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 tt -97.75 112.03 24.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.703 -0.851 . . . . 73.14 108.703 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 9.9 p80 -85.06 144.24 28.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.429 -0.508 . . . . 73.44 111.895 -173.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.2 157.09 18.39 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.786 -0.643 . . . . 64.11 109.706 173.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 10.6 p-90 -96.39 -17.77 20.39 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.01 -0.367 . . . . 70.23 110.01 176.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -153.36 140.8 19.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.215 0.606 . . . . 74.04 109.957 -174.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -140.19 153.41 46.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.109 -0.496 . . . . 71.11 110.407 172.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -124.38 143.95 50.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.05 0.452 . . . . 43.24 111.359 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.464 HD22 HD13 ' A' ' 14' ' ' LEU . 49.0 mt -113.48 147.77 37.24 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.599 -1.182 . . . . 74.32 108.941 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -82.53 97.72 8.59 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.604 -0.887 . . . . 71.24 108.604 174.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -72.32 -34.48 68.12 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.207 -0.906 . . . . 72.41 111.914 -171.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -65.05 -39.58 93.49 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.586 0.754 . . . . 70.12 111.05 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.2 tp -78.84 -32.03 45.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 72.11 111.466 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.1 -21.92 56.13 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.991 -0.55 . . . . 72.35 111.821 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.47 -41.25 89.3 Favored 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.322 0.388 . . . . 73.32 110.005 171.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -75.45 -26.91 58.66 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.687 -0.688 . . . . 70.01 111.472 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.96 81.8 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.285 0.634 . . . . 74.43 111.202 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -78.65 -32.3 47.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.703 -0.681 . . . . 73.11 110.643 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.13 -46.65 88.93 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.939 0.896 . . . . 73.33 110.286 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.71 -37.71 85.26 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.373 -0.831 . . . . 71.5 111.029 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.79 74.61 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.053 0.39 . . . . 71.35 112.053 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -79.57 -11.74 59.87 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.28 -0.418 . . . . 73.33 111.805 175.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.8 8.89 35.02 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.046 0.539 . . . . 73.03 111.529 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.8 t70 64.91 30.33 12.04 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 125.044 1.338 . . . . 65.21 111.562 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -117.54 124.33 29.03 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.957 -0.565 . . . . 61.15 109.771 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.26 125.78 14.02 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.632 2.221 . . . . 73.42 111.618 172.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -95.39 136.62 35.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.352 -0.386 . . . . 73.43 110.336 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.421 ' HB1' HD21 ' A' ' 75' ' ' ASN . . . -148.28 137.23 21.8 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.559 -0.746 . . . . 63.23 109.795 173.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.8 p -146.87 150.65 35.66 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 123.737 0.648 . . . . 65.12 110.34 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -99.58 15.43 26.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.23 -0.441 . . . . 71.03 110.79 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -82.64 165.43 20.03 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 107.975 -1.12 . . . . 71.42 107.975 171.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -69.91 150.81 46.36 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 123.333 0.396 . . . . 71.54 110.302 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.0 p -135.42 -13.71 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.941 0.4 . . . . 55.14 111.042 171.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.468 HD23 HD22 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -135.38 126.18 27.39 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.987 -0.375 . . . . 71.25 109.987 -173.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.1 105.81 7.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.537 0.523 . . . . 73.23 109.644 171.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.465 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -101.43 115.27 42.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 110.034 -0.358 . . . . 72.34 110.034 -179.153 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.427 ' OE2' ' HD2' ' A' ' 67' ' ' ARG . 29.2 tt0 -103.8 121.15 42.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.624 -0.716 . . . . 74.51 109.785 176.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.7 t -126.86 129.07 47.52 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 114.995 -1.002 . . . . 65.43 109.013 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.4 mt -79.41 103.79 9.57 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.021 -0.733 . . . . 71.12 109.021 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -105.06 97.84 7.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.17 -1.377 . . . . 62.24 108.499 -176.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.09 -103.77 2.17 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 110.098 -1.201 . . . . 64.42 110.098 -169.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -133.23 23.41 4.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.917 0.865 . . . . 75.41 109.241 171.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -107.78 139.0 43.02 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 113.873 -1.512 . . . . 72.14 110.481 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.427 ' HD2' ' OE2' ' A' ' 60' ' ' GLU . 45.6 mtm105 -86.85 99.29 11.72 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.633 -0.877 . . . . 73.42 108.633 169.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -87.46 116.26 25.44 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.459 -0.941 . . . . 75.21 108.459 -178.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -117.02 129.7 56.19 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.375 -0.83 . . . . 74.45 110.405 -171.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.465 ' HB2' HG23 ' A' ' 59' ' ' VAL . 17.5 m-90 -119.34 125.35 48.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.397 -0.594 . . . . 74.02 109.397 170.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.461 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 55.3 mtt180 -116.55 118.79 33.6 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.694 0.759 . . . . 71.41 111.043 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -105.77 144.2 32.85 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.217 -1.356 . . . . 75.0 109.685 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.3 p -75.86 163.18 27.47 Favored 'General case' 0 N--CA 1.443 -0.78 0 O-C-N 123.909 0.755 . . . . 73.21 109.962 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -63.41 -36.74 84.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.473 -0.785 . . . . 73.55 110.219 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.528 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -58.51 -47.69 83.3 Favored 'General case' 0 C--O 1.221 -0.414 0 O-C-N 123.934 0.771 . . . . 72.35 111.885 174.612 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.09 97.88 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.631 0.582 . . . . 60.44 112.175 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.85 -26.06 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 123.82 0.848 . . . . 64.24 112.663 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -78.93 -36.56 41.55 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 122.095 -0.378 . . . . 70.31 111.629 175.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 75' ' ' ASN . 12.0 mm-40 -77.73 -16.13 58.64 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.904 0.482 . . . . 64.43 111.375 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.91 117.26 1.99 Allowed 'General case' 0 N--CA 1.471 0.61 0 O-C-N 124.425 1.078 . . . . 53.21 113.066 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -84.03 126.72 69.41 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 114.384 -1.28 . . . . 74.21 111.153 -170.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -67.1 122.38 9.68 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 121.966 1.777 . . . . 74.4 111.616 174.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -81.46 176.17 9.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.075 -0.511 . . . . 74.23 110.245 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.77 -16.23 63.6 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.851 1.056 . . . . 71.11 113.851 -171.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -89.09 -20.52 24.21 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.663 0.385 . . . . 73.41 111.863 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.01 -12.36 64.32 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 114.176 0.43 . . . . 53.53 114.176 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -109.79 -23.29 11.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 117.295 0.547 . . . . 73.31 111.665 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.5 m -92.64 145.41 24.45 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.664 -0.495 . . . . 72.12 109.664 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.493 ' CD1' HD13 ' A' ' 10' ' ' LEU . 77.8 m95 -130.22 124.89 33.56 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.608 -0.724 . . . . 72.51 110.194 -176.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.1 ttt-85 -81.32 108.41 14.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.116 -0.698 . . . . 62.24 109.116 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 3.5 mm? -89.62 99.36 12.38 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 108.571 -0.899 . . . . 74.52 108.571 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 t -83.85 116.01 22.54 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-O 121.568 0.699 . . . . 61.1 109.145 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 59.3 p -118.6 -174.45 2.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.318 -0.855 . . . . 52.15 109.482 -177.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.34 -15.08 78.99 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.89 -0.484 . . . . 71.4 111.89 174.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -98.03 -50.31 4.44 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 122.391 0.277 . . . . 71.31 111.577 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 179.37 -160.88 26.55 Favored Glycine 0 C--O 1.224 -0.507 0 C-N-CA 121.43 -0.414 . . . . 73.21 112.564 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 91' ' ' LEU . . . -102.46 135.5 43.98 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 122.678 0.391 . . . . 73.21 110.801 -176.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.563 ' HB3' HD11 ' A' ' 22' ' ' ILE . 89.0 m-85 -130.99 118.86 21.24 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.215 -0.448 . . . . 65.12 110.945 -178.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.677 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 25.7 tt0 -84.4 101.71 12.21 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 116.251 -0.431 . . . . 74.2 111.289 -174.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 28.9 mt -92.43 110.56 21.97 Favored 'General case' 0 C--O 1.212 -0.88 0 N-CA-C 109.215 -0.661 . . . . 71.0 109.215 176.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -110.17 113.64 26.49 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.187 0.518 . . . . 75.32 109.969 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 75.6 m -83.73 122.16 28.27 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.829 -1.078 . . . . 73.42 110.878 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 114.929 -1.032 . . . . 75.4 109.63 -175.616 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 . . . . . 0 CA--C 1.504 -0.804 0 N-CA-C 108.236 -1.024 . . . . 61.42 108.236 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.497 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 90.7 m-85 -98.16 174.3 6.59 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 107.396 -1.335 . . . . 72.01 107.396 171.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.532 HD13 ' CD1' ' A' ' 89' ' ' TRP . 57.6 tp -65.31 -22.26 66.81 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 117.883 0.31 . . . . 72.15 110.851 174.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.2 tp -64.35 -41.3 96.82 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.453 0.701 . . . . 45.3 112.176 173.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -76.72 -27.05 55.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.239 0.542 . . . . 53.34 110.57 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 56.1 mm-40 -77.1 -33.29 56.99 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 115.395 -0.82 . . . . 64.21 112.654 -177.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.411 HD13 HD22 ' A' ' 32' ' ' LEU . 3.4 pp -74.31 -23.52 59.09 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.038 0.381 . . . . 65.3 111.762 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -70.71 -29.93 66.34 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.711 -0.677 . . . . 62.35 111.546 173.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.5 p -113.98 21.14 15.13 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.247 0.462 . . . . 74.13 112.247 -177.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.17 139.98 37.95 Favored 'General case' 0 CA--C 1.514 -0.434 0 O-C-N 122.281 -0.262 . . . . 53.24 110.303 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -103.35 -51.9 3.13 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.666 -0.864 . . . . 73.42 108.666 171.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.5 ttp -105.18 130.28 53.38 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.422 -0.955 . . . . 52.22 108.422 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.6 tp -122.54 120.25 33.26 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.803 -0.814 . . . . 61.24 108.803 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 28.8 tt0 -95.54 140.36 30.49 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.466 -0.788 . . . . 65.24 108.933 -175.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.508 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 14.6 tt -131.22 111.83 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-O 122.04 0.924 . . . . 61.02 111.647 174.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t70 62.8 21.9 13.07 Favored 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 124.771 1.228 . . . . 61.14 111.469 175.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.35 7.64 51.44 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 116.246 -0.434 . . . . 73.32 113.639 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.1 mt -113.45 108.19 16.86 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 117.198 0.499 . . . . 61.33 110.415 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -80.14 116.16 20.1 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.19 0.519 . . . . 75.1 110.688 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.59 135.76 37.34 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.426 -0.806 . . . . 50.31 111.279 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.9 p-90 -82.44 -21.14 35.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.379 -0.828 . . . . 73.11 109.607 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -149.32 135.65 19.21 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.874 -1.057 . . . . 71.1 108.411 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -129.61 150.76 50.79 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.598 -0.728 . . . . 41.42 109.099 171.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -112.39 143.12 44.05 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 114.885 -1.052 . . . . 71.3 109.894 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.411 HD22 HD13 ' A' ' 14' ' ' LEU . 71.5 mt -121.15 145.95 47.28 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.693 -0.685 . . . . 65.43 109.541 177.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -88.85 87.7 7.33 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.77 -1.196 . . . . 73.14 107.77 173.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -74.17 -20.13 60.32 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.435 -0.802 . . . . 75.32 112.674 -174.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -69.36 -43.6 73.28 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.799 0.839 . . . . 73.22 110.137 172.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.5 tp -77.9 -26.7 49.28 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.255 -0.884 . . . . 73.0 111.131 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -82.45 -19.13 39.55 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.284 -0.416 . . . . 73.54 111.811 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -71.02 -37.36 72.61 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.736 -0.839 . . . . 73.13 108.736 170.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -79.26 -24.31 43.07 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.059 -0.973 . . . . 73.43 111.576 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.28 -39.15 68.57 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.066 0.46 . . . . 62.21 111.09 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.19 -35.59 69.01 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 115.204 -0.907 . . . . 72.13 110.397 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 tt -59.84 -29.84 68.54 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.236 1.415 . . . . 71.12 112.021 173.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.14 -39.93 14.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.714 -0.221 . . . . 72.12 110.434 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.93 -33.21 75.29 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 122.815 0.446 . . . . 74.14 111.742 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.89 -22.93 52.68 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.732 -0.667 . . . . 54.51 110.532 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.54 10.39 30.51 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.064 0.546 . . . . 63.4 111.683 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 t70 72.14 16.14 5.32 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.243 1.017 . . . . 73.42 111.473 174.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -110.71 150.47 41.81 Favored Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 123.442 0.697 . . . . 55.44 110.851 -175.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -77.78 134.88 13.83 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 122.387 2.058 . . . . 65.42 111.718 170.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -95.85 134.07 39.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.523 -0.547 . . . . 73.41 109.523 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -140.86 122.09 14.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.873 -0.603 . . . . 61.4 110.072 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 74' ' ' TYR . 22.7 t -142.59 145.82 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 65.31 109.779 177.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -101.38 9.18 41.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.611 -0.268 . . . . 71.22 111.219 175.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -79.44 159.09 27.17 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.383 -0.969 . . . . 64.22 108.383 172.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.6 p-90 -62.35 151.58 36.34 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 123.867 0.729 . . . . 74.4 110.816 -177.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.9 p -136.48 -16.39 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 120.995 0.426 . . . . 64.55 110.811 172.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 1.8 tm? -137.87 125.16 21.75 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.614 -0.513 . . . . 71.01 109.614 -171.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 70' ' ' TRP . . . -136.11 105.84 6.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.938 0.399 . . . . 44.14 111.326 174.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -100.49 124.69 54.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.947 0 CA-C-N 116.611 -0.268 . . . . 73.24 110.569 -176.233 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -108.39 118.55 37.07 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.561 -0.455 . . . . 71.23 111.149 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.1 m -122.54 136.96 55.02 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.41 -0.813 . . . . 71.42 109.59 174.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.527 ' HA ' ' O ' ' A' ' 66' ' ' THR . 9.7 mp -93.97 106.74 18.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.961 -0.563 . . . . 65.54 111.14 177.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' A' ' 66' ' ' THR . 25.0 t70 -94.3 95.88 9.2 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.335 -0.987 . . . . 70.15 108.335 168.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.57 -118.62 4.77 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 109.803 -1.319 . . . . 73.22 109.803 -166.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.0 mmt-85 -116.98 16.2 15.1 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.827 0.823 . . . . 75.41 109.465 168.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.527 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 54.0 m -76.93 100.26 5.52 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.31 -1.314 . . . . 65.01 109.671 171.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.539 ' HD2' ' H ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -93.66 97.31 10.38 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 122.138 0.971 . . . . 73.2 109.009 178.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -110.26 132.01 54.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.741 -0.663 . . . . 54.33 109.831 -174.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.567 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -111.97 134.94 53.21 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.666 0.746 . . . . 71.42 110.474 175.262 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.451 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 22.9 m-90 -103.78 122.14 44.47 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.328 -0.99 . . . . 73.33 108.328 176.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.454 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 62.0 mtm180 -113.92 114.92 26.87 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.347 0.594 . . . . 73.42 110.855 -172.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -110.61 143.24 41.33 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.405 -0.816 . . . . 53.33 110.863 -176.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.0 m -70.92 160.27 33.16 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 124.377 1.048 . . . . 74.31 111.137 176.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.405 ' HB3' ' O ' ' A' ' 52' ' ' SER . 65.2 t80 -61.7 -40.12 93.89 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.479 -0.782 . . . . 75.14 110.707 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.448 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -58.23 -42.76 87.02 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.106 0.879 . . . . 61.5 112.289 174.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.452 ' HB1' HD11 ' A' ' 91' ' ' LEU . . . -67.92 -33.0 73.85 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 124.234 0.959 . . . . 75.02 112.715 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 24.1 t -78.84 -24.5 13.09 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 122.878 0.471 . . . . 71.15 111.385 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.17 -37.47 53.71 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 122.305 -0.247 . . . . 73.25 111.354 174.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 75' ' ' ASN . 11.4 pt-20 -88.76 10.14 21.99 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.665 0.617 . . . . 42.45 112.665 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.35 124.33 19.66 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 123.733 0.645 . . . . 54.23 110.741 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.46 123.09 85.73 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.0 -1.0 . . . . 71.02 111.404 -170.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -69.85 122.85 9.49 Favored 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 122.292 1.995 . . . . 55.22 111.778 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -90.37 170.29 10.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.888 -0.596 . . . . 65.21 110.607 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.22 -5.19 53.75 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.313 -0.858 . . . . 43.15 111.179 173.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -72.49 -24.26 61.15 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.615 -0.72 . . . . 55.3 111.172 173.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.93 -14.94 29.44 Favored Glycine 0 C--N 1.342 0.881 0 N-CA-C 115.447 0.939 . . . . 73.21 115.447 175.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -127.02 -37.79 2.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.168 0.484 . . . . 74.33 110.472 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.6 m -74.17 134.13 42.78 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.042 -0.527 . . . . 65.52 110.791 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.532 ' CD1' HD13 ' A' ' 10' ' ' LEU . 63.4 m95 -115.96 147.32 41.29 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 107.65 -1.241 . . . . 74.13 107.65 172.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -103.27 114.02 27.97 Favored 'General case' 0 N--CA 1.432 -1.331 0 C-N-CA 119.668 -0.813 . . . . 75.01 110.377 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.452 HD11 ' HB1' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -88.99 99.76 12.67 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 107.269 -1.382 . . . . 75.03 107.269 -179.089 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.1 t -85.65 130.88 34.46 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.109 -0.951 . . . . 52.32 109.353 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.7 p -134.89 -177.23 4.53 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.578 -0.737 . . . . 63.2 110.078 -175.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -79.67 -13.05 82.94 Favored Glycine 0 C--N 1.334 0.452 0 N-CA-C 111.634 -0.586 . . . . 61.31 111.634 170.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -81.77 -46.4 14.28 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.252 -0.648 . . . . 70.1 109.252 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.75 -110.25 0.36 Allowed Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.921 -0.581 . . . . 63.34 111.83 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -155.63 131.93 10.21 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 123.506 0.722 . . . . 73.21 110.256 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -118.66 125.09 48.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.999 -1.001 . . . . 62.53 108.45 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 42.2 tt0 -84.31 100.4 11.22 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.235 -0.586 . . . . 71.41 110.549 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.499 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 20.8 mt -93.7 107.96 19.76 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.038 -0.356 . . . . 74.24 110.038 176.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -112.63 120.48 41.72 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 121.517 0.675 . . . . 75.33 110.063 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.64 116.39 22.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.542 -1.208 . . . . 72.51 111.409 -177.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 79.6 mt . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 114.85 -1.068 . . . . 62.42 110.796 -174.581 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 . . . . . 0 N--CA 1.432 -1.361 0 N-CA-C 108.48 -0.933 . . . . 72.45 108.48 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.46 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 32.8 m-85 -73.63 169.98 16.17 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.26 -1.336 . . . . 73.43 107.513 172.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.426 HD13 ' CD1' ' A' ' 89' ' ' TRP . 56.3 tp -58.11 -26.74 63.0 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.501 0.556 . . . . 60.14 112.501 -177.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.402 HD11 ' CD2' ' A' ' 37' ' ' LEU . 21.3 tp -62.4 -47.67 83.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.646 0.592 . . . . 60.15 112.247 174.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.05 -30.81 70.99 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.608 0.363 . . . . 74.35 110.924 176.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 18.2 mm-40 -73.02 -37.63 66.87 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 112.873 0.694 . . . . 75.45 112.873 -176.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.502 HD13 HD22 ' A' ' 32' ' ' LEU . 2.8 pp -75.71 -21.76 57.24 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.361 0.504 . . . . 73.21 112.361 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -79.44 -29.24 41.74 Favored 'General case' 0 C--N 1.332 -0.166 0 O-C-N 123.418 0.449 . . . . 75.15 111.397 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 p -101.12 9.67 41.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 74.15 111.556 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.94 139.03 31.9 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.065 0.46 . . . . 41.34 111.105 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -93.77 -31.37 14.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.93 -1.032 . . . . 50.11 109.281 173.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.5 ttp -135.21 138.74 43.91 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 114.191 -1.368 . . . . 61.44 108.674 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.3 tp -131.84 116.05 16.72 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.116 -0.633 . . . . 72.33 110.467 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -99.5 146.07 26.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.209 -0.905 . . . . 64.14 109.573 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.457 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.8 tt -136.42 112.02 11.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-O 121.738 0.78 . . . . 73.13 111.805 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 65.04 21.39 12.25 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.116 1.366 . . . . 72.24 111.622 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.08 -23.5 35.46 Favored Glycine 0 C--N 1.346 1.117 0 CA-C-N 116.156 -0.474 . . . . 74.22 112.654 -174.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 tt -81.65 127.1 32.54 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.427 -0.953 . . . . 71.33 108.427 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -88.51 124.69 34.25 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.36 -0.382 . . . . 53.24 110.921 -174.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.421 ' HA ' ' OG ' ' A' ' 61' ' ' SER . . . -77.31 129.49 35.93 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.722 -0.672 . . . . 63.34 109.681 174.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.1 p-90 -72.52 -27.99 62.58 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 109.525 -0.546 . . . . 54.24 109.525 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.2 ptt85 -152.62 169.16 23.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.6 -0.727 . . . . 54.45 109.741 173.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -141.66 159.96 41.15 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.116 -0.698 . . . . 74.43 109.116 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -138.02 139.19 39.5 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 109.136 -0.69 . . . . 64.42 109.136 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.502 HD22 HD13 ' A' ' 14' ' ' LEU . 88.9 mt -120.43 143.46 48.46 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.449 -0.341 . . . . 63.22 110.989 -174.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.543 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 33.4 t-20 -86.9 90.51 8.35 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.033 -0.729 . . . . 71.22 109.033 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -74.38 -25.99 59.83 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.779 0.832 . . . . 74.11 111.875 -175.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -61.99 -45.99 91.2 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.085 0.866 . . . . 74.54 110.948 171.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.5 tp -75.82 -24.74 55.89 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.277 -0.42 . . . . 52.24 111.308 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 47.1 mt -78.36 -25.21 46.25 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.259 0.466 . . . . 71.13 112.259 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.51 -43.9 88.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.706 0.629 . . . . 71.14 110.231 170.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -74.08 -31.48 62.85 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.709 0.631 . . . . 71.54 111.341 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.99 -43.72 78.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.019 -0.991 . . . . 71.04 111.569 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -73.07 -33.01 65.38 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 124.037 0.836 . . . . 61.22 110.586 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.6 tt -57.31 -46.48 83.15 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.819 1.247 . . . . 71.01 110.979 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.43 -39.32 59.05 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.835 -0.621 . . . . 34.33 111.166 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.35 -28.83 67.48 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.935 0.717 . . . . 65.22 112.935 -177.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -77.7 -15.71 58.97 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 122.803 0.441 . . . . 71.24 111.336 174.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.11 6.27 49.2 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.271 -0.422 . . . . 71.45 111.252 174.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 t70 72.78 4.71 5.05 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 125.939 1.695 . . . . 74.35 111.771 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -88.99 125.89 60.94 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.376 -0.602 . . . . 71.11 109.376 -176.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -66.39 124.22 12.2 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 121.868 1.712 . . . . 62.33 112.227 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -96.21 133.02 41.04 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.74 -0.837 . . . . 72.42 108.74 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.07 117.89 8.17 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.226 -0.657 . . . . 70.33 109.226 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.2 p -138.5 142.79 39.36 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.782 -0.451 . . . . 73.53 109.782 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -95.05 13.49 24.97 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.841 -0.344 . . . . 63.42 111.927 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.17 153.66 31.85 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.161 -1.051 . . . . 63.2 108.161 170.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 8.4 p-90 -60.85 150.28 33.41 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.262 0.977 . . . . 63.33 111.074 -177.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.0 p -131.34 -23.73 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.905 0.383 . . . . 63.14 110.716 174.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.8 tp -142.34 122.29 13.63 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.061 0.458 . . . . 73.34 110.998 -173.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.82 107.48 14.18 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.337 -0.847 . . . . 63.44 109.454 172.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -99.35 108.55 22.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.155 -0.683 . . . . 63.3 109.155 -179.145 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -100.71 128.33 46.8 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.495 -0.775 . . . . 72.14 109.736 -172.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 27' ' ' ALA . 22.2 m -127.45 131.23 50.25 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.163 -0.926 . . . . 74.03 109.74 176.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.1 mt -96.62 106.35 18.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.532 -0.914 . . . . 74.33 108.532 172.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.424 ' O ' HG22 ' A' ' 66' ' ' THR . 30.4 t70 -104.64 97.69 7.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.815 -0.63 . . . . 62.21 109.629 -174.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.83 -96.71 1.08 Allowed Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.088 -0.96 . . . . 53.41 110.705 -170.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -136.26 21.32 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.74 0.416 . . . . 72.14 110.849 174.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 63' ' ' ASP . 6.7 t -104.45 141.74 35.82 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.235 0.541 . . . . 70.43 110.108 174.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -97.93 108.36 21.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.986 -0.746 . . . . 71.04 108.986 175.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -123.49 114.34 19.96 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-O 121.572 0.701 . . . . 71.53 110.146 177.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.75 137.32 52.28 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.764 -1.107 . . . . 70.2 109.432 175.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.402 ' HB2' HG23 ' A' ' 59' ' ' VAL . 21.4 m-90 -103.2 122.03 43.89 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.407 -0.96 . . . . 74.44 108.407 176.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -107.34 109.91 21.78 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.284 -0.871 . . . . 73.32 108.985 -177.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -103.95 139.79 38.62 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 115.198 -0.91 . . . . 74.41 109.604 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.457 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 37.3 p -76.02 163.23 27.35 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 124.327 1.017 . . . . 74.15 110.58 177.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -62.29 -33.25 74.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.9 -1.046 . . . . 73.12 110.116 173.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -66.98 -37.66 84.64 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 124.682 1.193 . . . . 53.25 111.524 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.44 -38.18 74.48 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.662 0.601 . . . . 61.52 111.986 177.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.3 t -71.76 -27.04 26.81 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 CA-C-N 115.583 -0.735 . . . . 61.1 111.476 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.33 -46.14 74.34 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 122.586 0.354 . . . . 63.3 111.83 174.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -90.37 6.98 40.88 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.604 0.594 . . . . 75.14 112.604 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.93 121.1 14.78 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.859 0.464 . . . . 74.31 111.169 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -78.94 128.74 75.54 Favored Pre-proline 0 N--CA 1.463 0.218 0 CA-C-N 115.308 -0.86 . . . . 64.25 112.244 -169.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -71.91 113.31 3.63 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.611 2.207 . . . . 52.34 112.003 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -74.52 159.09 32.68 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.271 -0.422 . . . . 71.12 110.359 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.2 -5.09 33.3 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.82 -0.627 . . . . 73.41 111.709 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -73.16 -24.78 60.61 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.399 1.08 . . . . 53.43 111.159 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.5 -14.34 35.91 Favored Glycine 0 C--N 1.343 0.929 0 N-CA-C 115.02 0.768 . . . . 42.34 115.02 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 23.3 mt-10 -116.83 -26.52 6.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.943 0.871 . . . . 64.11 110.487 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.4 m -95.58 146.02 24.78 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.336 -0.847 . . . . 62.25 111.75 -170.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.426 ' CD1' HD13 ' A' ' 10' ' ' LEU . 73.4 m95 -133.91 147.18 51.08 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.094 -0.957 . . . . 74.32 110.138 -177.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -96.57 112.24 24.06 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 116.624 -0.262 . . . . 73.31 111.545 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.26 97.42 9.14 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.01 -1.108 . . . . 64.45 108.01 168.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.24 97.78 8.25 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 122.684 1.231 . . . . 74.53 109.148 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.5 p -118.26 176.89 5.02 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.931 -1.486 . . . . 55.21 109.879 -172.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.89 -16.3 80.12 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.759 -0.537 . . . . 72.23 111.759 173.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -71.82 -43.0 66.35 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.473 0.709 . . . . 60.44 109.216 169.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.14 -174.41 34.71 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.876 -0.602 . . . . 30.04 112.019 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.25 122.72 38.23 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 123.072 0.549 . . . . 64.24 110.563 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.423 ' HB3' HD11 ' A' ' 22' ' ' ILE . 85.1 m-85 -130.39 131.29 45.22 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.627 -0.715 . . . . 74.24 110.554 -173.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 40.5 tt0 -95.3 102.77 14.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.361 -0.381 . . . . 74.34 110.862 -177.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.2 mt -91.59 123.25 34.85 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-O 121.255 0.55 . . . . 75.45 110.511 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 66.6 ttt180 -125.39 118.69 26.44 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.597 -0.729 . . . . 75.22 110.043 -176.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 2.0 p -83.04 124.35 30.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.398 -1.274 . . . . 43.32 111.105 -177.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.7 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 115.639 -0.71 . . . . 75.1 109.966 -175.886 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.427 ' O ' ' HH2' ' A' ' 89' ' ' TRP . 30.9 mmm-85 . . . . . 0 N--CA 1.444 -0.749 0 CA-C-O 122.688 1.233 . . . . 74.02 112.116 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -93.4 -175.6 3.86 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 112.642 -2.072 . . . . 72.24 107.537 172.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.426 HD21 HD13 ' A' ' 100' ' ' LEU . 52.2 tp -79.38 -11.93 59.92 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 119.974 -0.69 . . . . 72.15 109.685 168.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.1 tp -68.64 -46.36 69.41 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 122.817 0.447 . . . . 63.01 111.226 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.13 -20.05 45.85 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 121.233 -0.187 . . . . 70.43 111.179 176.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -83.56 -19.17 36.09 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 113.777 1.029 . . . . 44.45 113.777 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.75 -24.85 41.27 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.627 0.649 . . . . 53.4 109.876 169.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -71.53 -40.11 70.31 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 115.309 -0.859 . . . . 70.21 111.764 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.7 p -83.89 -17.76 39.7 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 112.188 0.44 . . . . 74.23 112.188 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 119.05 7.44 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 113.269 0.841 . . . . 73.0 113.269 -174.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -86.08 -35.51 20.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.484 -0.932 . . . . 75.35 108.484 170.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.471 ' HB3' ' HB2' ' A' ' 103' ' ' LEU . 7.3 ttm -135.49 150.47 49.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.775 -1.102 . . . . 62.42 108.132 174.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.5 mt -123.72 127.08 47.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.111 0.481 . . . . 63.12 110.492 175.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 32.3 tt0 -112.03 149.02 32.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.288 -0.869 . . . . 63.13 110.587 -175.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.565 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 2.4 tt -137.49 118.45 17.3 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 CA-C-O 121.84 0.829 . . . . 72.33 111.085 175.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 62.86 26.48 15.59 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.26 1.424 . . . . 64.44 112.864 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.67 8.55 65.45 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 121.539 -0.362 . . . . 73.33 112.849 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 tt -125.83 110.69 13.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.082 -1.081 . . . . 73.12 108.082 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 4.1 p-80 -89.3 140.22 29.71 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.772 1.027 . . . . 72.02 113.772 -174.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.89 146.82 29.62 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 113.713 -1.585 . . . . 55.41 110.741 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 47.3 p-90 -84.45 -26.1 28.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.789 -0.641 . . . . 73.55 110.454 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -142.08 136.41 30.11 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.964 -0.562 . . . . 64.25 109.571 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -134.76 158.76 43.33 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.023 -0.99 . . . . 70.24 109.787 171.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -129.33 145.91 51.3 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.621 0.576 . . . . 53.31 109.765 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.0 mt -115.76 143.63 45.12 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.158 -1.053 . . . . 75.35 108.158 176.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.548 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 45.9 t-20 -85.73 92.07 8.49 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.617 -0.883 . . . . 74.5 108.617 176.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -72.58 -26.28 61.65 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.874 0.734 . . . . 73.33 112.054 -176.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -66.6 -39.27 88.31 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 123.996 0.81 . . . . 65.55 110.84 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.5 tp -81.32 -25.49 36.4 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.963 -0.562 . . . . 72.54 111.011 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 81.3 mt -78.31 -23.62 47.0 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.304 0.377 . . . . 74.31 111.655 176.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 27.4 t70 -65.18 -41.96 94.08 Favored 'General case' 0 C--O 1.223 -0.296 0 O-C-N 124.218 0.949 . . . . 63.25 110.002 171.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -79.12 -28.08 42.9 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 124.201 0.938 . . . . 71.24 111.4 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.83 -36.96 70.37 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.49 0.494 . . . . 61.34 111.014 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -79.95 -31.05 39.96 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.341 -0.845 . . . . 64.24 110.197 178.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 38' ' ' ASP . 3.6 tt -61.9 -42.7 99.39 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.968 0.907 . . . . 72.14 109.854 173.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.65 81.27 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 115.25 -0.886 . . . . 31.02 111.482 176.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.32 83.72 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 111.962 0.356 . . . . 72.01 111.962 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.68 -27.33 63.94 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.902 0.481 . . . . 74.13 111.921 175.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.33 5.52 51.28 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.815 0.446 . . . . 62.52 112.026 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 t70 61.44 35.14 17.83 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 122.783 1.277 . . . . 54.24 111.126 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -106.32 136.73 19.32 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.106 -0.952 . . . . 73.54 109.569 177.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -72.8 124.61 9.84 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.14 1.893 . . . . 65.05 111.148 171.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -105.49 114.44 28.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 75.05 110.75 -174.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -128.57 118.61 23.29 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.795 -0.639 . . . . 54.24 109.972 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 p -134.89 146.04 48.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.099 0.476 . . . . 71.34 111.222 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -98.18 10.44 40.55 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.48 -0.782 . . . . 64.45 111.543 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -79.29 166.54 22.02 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.676 -0.861 . . . . 52.43 108.676 174.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.1 p-90 -70.52 152.31 44.13 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 109.964 -0.384 . . . . 61.14 109.964 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.71 -20.88 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-O 121.128 0.49 . . . . 61.34 111.086 170.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.47 125.12 28.29 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.173 -0.677 . . . . 75.11 109.173 -173.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.48 108.4 9.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.823 0.344 . . . . 64.25 110.896 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.413 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.4 OUTLIER -106.45 131.33 56.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.258 -0.645 . . . . 41.33 109.258 177.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -132.05 132.6 43.51 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.6 0.714 . . . . 71.52 110.534 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.3 t -132.4 157.11 45.37 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.387 -0.824 . . . . 72.22 111.009 -174.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.0 mt -103.68 108.85 20.32 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.618 -0.719 . . . . 72.22 110.302 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -110.81 100.43 9.17 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.965 0.888 . . . . 75.21 110.137 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.97 -99.49 2.23 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.398 -0.819 . . . . 44.35 111.332 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -128.88 10.05 5.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.904 0.859 . . . . 72.52 109.471 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -100.31 139.05 36.54 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.66 -1.155 . . . . 73.15 110.732 -173.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -108.53 103.51 12.64 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.804 -0.634 . . . . 73.3 109.323 174.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.4 ttm105 -109.4 125.56 52.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.995 -0.548 . . . . 72.1 110.772 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -116.5 134.58 54.69 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.68 -0.691 . . . . 55.31 111.046 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.413 ' HB2' HG23 ' A' ' 59' ' ' VAL . 16.5 m-90 -111.35 124.25 51.86 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.716 -1.129 . . . . 74.44 108.545 173.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -117.34 122.92 45.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.434 0.635 . . . . 65.22 110.401 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -114.97 141.8 47.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.871 -1.058 . . . . 73.02 110.688 -174.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 55.7 m -76.8 165.58 24.51 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 124.401 1.063 . . . . 61.02 110.676 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -68.06 -34.15 75.9 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.875 -0.602 . . . . 74.01 111.012 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -39.68 88.9 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 124.007 0.817 . . . . 74.41 111.784 173.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.8 -31.57 69.55 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.741 0.651 . . . . 74.44 112.022 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.6 t -82.69 -23.81 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-O 121.02 0.438 . . . . 75.43 111.28 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 24.1 mmt -75.82 -36.6 59.62 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.461 -0.336 . . . . 73.12 110.955 174.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -85.62 2.88 43.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 123.613 0.57 . . . . 73.02 112.238 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.03 114.16 2.7 Favored 'General case' 0 C--O 1.242 0.693 0 O-C-N 123.803 0.689 . . . . 74.43 111.023 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 90' ' ' ARG . 37.2 mt-10 -87.11 131.99 42.97 Favored Pre-proline 0 CA--C 1.512 -0.515 0 CA-C-N 114.956 -1.02 . . . . 63.35 110.5 -172.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -64.5 134.7 42.53 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.227 1.951 . . . . 53.25 111.472 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -101.36 160.88 14.04 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 108.446 -0.946 . . . . 73.32 108.446 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.73 -5.76 45.09 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.026 0.441 . . . . 74.53 111.504 176.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -73.75 -24.69 59.92 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.89 0.876 . . . . 73.41 110.95 172.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.39 -14.31 23.51 Favored Glycine 0 C--N 1.344 1.021 0 N-CA-C 115.137 0.815 . . . . 72.31 115.137 175.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -116.83 -40.11 3.19 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 117.436 0.618 . . . . 75.15 110.365 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.5 m -80.57 147.04 30.95 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.892 -0.594 . . . . 24.32 111.325 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.427 ' HH2' ' O ' ' A' ' 8' ' ' ARG . 83.9 m95 -130.66 144.15 51.23 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.513 -0.767 . . . . 74.53 109.238 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.419 ' HB3' ' HB2' ' A' ' 81' ' ' GLU . 32.3 ttt180 -88.07 97.23 10.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.48 0.657 . . . . 73.33 109.865 177.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.8 99.38 12.43 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.555 -1.202 . . . . 73.24 108.426 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 p -92.8 130.34 38.44 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.324 0.583 . . . . 62.31 110.356 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.2 p -129.52 -178.51 4.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.916 -1.038 . . . . 72.03 110.716 -176.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.49 -5.46 89.84 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 115.7 -0.682 . . . . 73.21 111.672 169.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -92.76 -13.29 29.46 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.291 0.636 . . . . 74.31 110.675 175.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 137.21 -112.09 0.9 Allowed Glycine 0 C--N 1.34 0.757 0 N-CA-C 111.23 -0.748 . . . . 73.52 111.23 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -157.67 147.04 19.91 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.872 0.469 . . . . 32.15 109.857 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -133.22 147.81 52.0 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.328 -0.99 . . . . 75.22 108.328 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.565 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 13.2 tt0 -94.38 100.09 12.18 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.415 -0.587 . . . . 64.23 109.415 176.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.426 HD13 HD21 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -93.57 109.95 21.56 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.782 -0.822 . . . . 74.25 108.782 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -110.27 120.7 43.29 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.691 -0.686 . . . . 74.33 109.34 -175.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 3.8 p -82.78 120.31 25.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.364 0.602 . . . . 73.14 110.563 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 20.7 mt . . . . . 0 CA--C 1.511 -0.556 0 CA-C-N 115.208 -0.905 . . . . 74.24 111.126 -174.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.3 mtm105 . . . . . 0 CA--C 1.513 -0.457 0 CA-C-O 121.121 0.486 . . . . 74.13 109.86 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.445 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 72.3 m-85 -74.07 168.54 19.33 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.057 -1.09 . . . . 72.35 108.057 168.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.504 HD13 ' CD1' ' A' ' 89' ' ' TRP . 56.6 tp -62.42 -25.97 68.24 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 118.142 0.428 . . . . 75.4 111.271 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.0 -49.51 75.77 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.609 -0.723 . . . . 74.52 111.163 171.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -63.8 -33.64 76.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.627 0.771 . . . . 73.3 111.338 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 15.9 mm-40 -66.28 -45.83 79.1 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 114.762 -1.108 . . . . 74.34 112.379 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.589 HD13 HD22 ' A' ' 32' ' ' LEU . 2.7 pp -74.53 -22.02 59.24 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.98 0.733 . . . . 73.15 112.98 -174.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.84 -21.87 59.03 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.542 0.526 . . . . 71.13 112.247 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.0 p -117.06 17.21 14.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.787 0.327 . . . . 52.05 111.558 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.62 155.75 19.04 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.263 0.554 . . . . 34.11 112.031 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -123.12 -46.91 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.164 -0.925 . . . . 53.23 108.916 174.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.566 ' HG3' ' HB2' ' A' ' 103' ' ' LEU . 4.3 ptm -121.15 129.9 53.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.199 -0.91 . . . . 74.21 110.103 179.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.03 152.53 35.34 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.48 -0.488 . . . . 63.0 110.195 -178.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -129.05 148.51 51.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 75.45 110.612 177.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.555 HD11 HG21 ' A' ' 59' ' ' VAL . 13.6 mt -124.58 98.03 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 114.818 -1.083 . . . . 60.33 108.967 170.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 t70 58.56 36.47 25.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.535 1.134 . . . . 62.04 111.289 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.69 -22.78 35.84 Favored Glycine 0 CA--C 1.524 0.608 0 CA-C-N 115.734 -0.666 . . . . 64.03 113.486 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 tt -77.68 113.93 16.02 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 107.693 -1.225 . . . . 73.55 107.693 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -65.96 121.83 15.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.649 -0.705 . . . . 73.31 111.192 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' HA ' ' OG ' ' A' ' 61' ' ' SER . . . -83.2 112.32 19.75 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.972 -1.122 . . . . 64.14 107.972 168.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -75.44 -21.68 57.95 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.929 0.395 . . . . 72.45 111.286 -171.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -146.58 152.73 39.41 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 109.09 -0.707 . . . . 43.31 109.09 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -143.56 158.78 43.39 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.174 0.511 . . . . 75.45 109.843 167.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -135.22 140.32 45.18 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.573 -0.899 . . . . 72.32 108.573 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.589 HD22 HD13 ' A' ' 14' ' ' LEU . 41.2 mt -111.7 149.62 31.35 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.767 -0.651 . . . . 72.53 109.877 -177.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.521 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.6 t-20 -82.86 89.95 6.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.014 -1.106 . . . . 61.25 108.014 172.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -71.37 -28.43 64.04 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.0 0.92 . . . . 71.25 111.503 -173.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -65.11 -42.21 94.19 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 124.222 0.951 . . . . 63.54 110.59 175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.1 tp -77.81 -26.22 49.42 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.086 0.554 . . . . 71.53 111.225 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 67.4 mt -81.86 -23.71 36.2 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.231 -0.441 . . . . 73.44 111.764 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -65.8 -40.11 91.59 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 108.996 -0.742 . . . . 63.24 108.996 171.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -73.21 -28.1 61.99 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 114.83 -1.077 . . . . 63.0 111.409 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.77 -17.64 57.3 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.777 0.323 . . . . 75.43 111.424 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -89.59 -41.52 11.94 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.042 -1.095 . . . . 71.31 108.042 -175.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.6 mt -61.82 -38.44 88.16 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 112.701 -2.045 . . . . 74.44 111.853 170.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.42 -38.91 78.1 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.056 -0.52 . . . . 64.13 111.407 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.46 -35.57 80.89 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.39 0.431 . . . . 65.11 111.677 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -74.81 -23.32 58.46 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 115.686 -0.688 . . . . 64.13 112.112 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.94 4.96 53.03 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.549 0.339 . . . . 74.01 111.852 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.8 t70 69.56 21.38 6.74 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.455 1.502 . . . . 72.11 112.061 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -103.38 120.04 53.12 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 115.811 -0.632 . . . . 53.43 109.886 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.58 125.22 15.66 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.17 1.914 . . . . 63.2 110.272 167.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -92.72 128.11 38.47 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.73 -0.47 . . . . 72.13 109.73 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.25 120.15 18.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.736 -0.666 . . . . 74.23 109.61 176.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.2 t -131.32 145.81 52.02 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.741 -0.663 . . . . 72.42 109.681 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -102.29 15.85 27.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.875 0.369 . . . . 73.03 110.866 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.79 -176.98 6.46 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.8 -0.815 . . . . 62.52 108.8 173.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -81.54 156.22 25.35 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 109.627 -0.508 . . . . 74.1 109.627 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 p -137.91 -26.75 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 120.378 -0.529 . . . . 74.24 111.855 172.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -138.49 113.78 9.5 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.39 0.614 . . . . 63.13 110.149 -169.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.27 105.86 13.03 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.153 -0.93 . . . . 64.21 109.245 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.555 HG21 HD11 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -101.96 120.97 52.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.351 -0.841 . . . . 74.41 110.619 -176.516 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -107.67 132.36 53.42 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.341 -0.845 . . . . 54.5 109.851 -178.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.45 ' OG ' ' HA ' ' A' ' 27' ' ' ALA . 20.0 m -127.09 144.37 51.05 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.328 -0.851 . . . . 70.32 109.813 176.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -101.44 105.25 16.24 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.918 0.866 . . . . 74.32 108.88 172.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.505 ' O ' ' HB ' ' A' ' 66' ' ' THR . 33.7 t70 -105.64 97.75 7.54 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.213 -1.358 . . . . 74.52 110.246 -170.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.78 -100.69 2.1 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.473 -1.051 . . . . 73.31 110.473 -174.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -132.4 27.93 4.39 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 122.135 0.969 . . . . 72.51 109.152 166.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.505 ' HB ' ' O ' ' A' ' 63' ' ' ASP . 5.4 m -109.58 135.52 50.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.098 -1.41 . . . . 71.51 110.27 -176.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -98.89 102.84 14.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.239 -0.652 . . . . 71.34 109.239 176.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -119.2 128.49 54.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.414 -0.812 . . . . 75.12 110.861 -172.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.69 149.28 50.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.454 0.645 . . . . 71.2 111.878 -177.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 -122.98 127.36 48.73 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.206 -0.907 . . . . 74.43 109.083 175.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -107.96 116.05 31.24 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.622 -0.51 . . . . 74.12 109.622 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -103.83 141.57 35.89 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.987 -0.745 . . . . 71.01 108.987 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.9 m -75.98 161.97 28.47 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.184 -0.916 . . . . 43.44 110.723 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.428 ' O ' ' HG2' ' A' ' 78' ' ' MET . 43.7 t80 -60.69 -40.67 93.06 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.0 -1.0 . . . . 74.23 109.923 174.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -46.33 90.57 Favored 'General case' 0 C--O 1.221 -0.439 0 O-C-N 124.206 0.941 . . . . 63.43 112.064 177.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.75 -44.12 97.52 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 124.146 0.904 . . . . 72.23 111.965 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.7 t -62.83 -36.37 75.22 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 124.01 0.924 . . . . 35.22 112.681 177.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 74' ' ' TYR . 98.3 mmm -76.36 -35.98 58.42 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.377 0.51 . . . . 73.52 112.377 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -92.58 6.13 48.4 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 111.911 0.337 . . . . 72.12 111.911 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.56 128.53 36.44 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.668 -0.696 . . . . 75.43 110.569 174.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.0 123.95 86.14 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.111 -0.95 . . . . 71.45 111.522 -170.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -69.4 118.94 5.99 Favored 'Trans proline' 0 C--N 1.358 1.067 0 C-N-CA 122.24 1.96 . . . . 52.43 111.505 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -79.51 161.61 25.92 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.652 -0.869 . . . . 71.11 108.652 177.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.65 -13.52 62.35 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.262 0.467 . . . . 63.32 112.262 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -67.08 -25.37 66.2 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.473 1.109 . . . . 63.41 111.214 172.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.65 -12.93 31.91 Favored Glycine 0 C--N 1.345 1.05 0 N-CA-C 114.923 0.729 . . . . 51.13 114.923 174.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -117.97 -27.68 6.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.156 0.478 . . . . 74.34 110.874 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.3 m -92.55 147.12 23.14 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.021 -0.536 . . . . 73.01 110.579 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.504 ' CD1' HD13 ' A' ' 10' ' ' LEU . 74.7 m95 -131.23 137.06 48.75 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.475 -0.784 . . . . 74.21 109.917 -176.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.435 ' CZ ' ' HB ' ' A' ' 92' ' ' THR . 4.0 tmt_? -95.62 108.11 20.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.512 0.673 . . . . 55.01 109.445 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 4.2 mm? -91.99 120.15 32.38 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 114.603 -1.181 . . . . 55.4 108.893 177.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.435 ' HB ' ' CZ ' ' A' ' 90' ' ' ARG . 5.2 t -115.26 99.39 7.37 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 123.145 1.45 . . . . 75.22 110.922 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.8 p -115.17 -179.52 3.65 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.987 -1.46 . . . . 74.14 110.294 -170.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.08 -14.54 82.17 Favored Glycine 0 C--N 1.342 0.885 0 N-CA-C 111.479 -0.649 . . . . 73.31 111.479 175.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -78.91 -50.2 11.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.518 -0.549 . . . . 75.43 109.518 169.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.09 -159.31 30.26 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-N 115.908 -0.587 . . . . 44.55 112.981 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.534 ' HA ' ' O ' ' A' ' 91' ' ' LEU . . . -94.26 122.76 37.13 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.888 -0.656 . . . . 65.22 110.842 -178.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -124.87 135.83 53.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.07 -0.968 . . . . 72.02 109.691 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 11.5 tt0 -96.68 103.39 15.3 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.583 -0.447 . . . . 73.11 109.96 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.1 mt -91.95 112.23 24.08 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.444 -0.576 . . . . 63.12 109.444 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -117.41 111.82 19.84 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.384 -0.599 . . . . 75.14 109.384 173.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 79.7 m -83.67 111.95 19.6 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.847 -1.07 . . . . 53.13 110.696 -178.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.566 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 79.2 mt . . . . . 0 C--N 1.31 -1.119 0 CA-C-N 114.423 -1.262 . . . . 71.25 108.976 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.416 ' HB3' ' OE2' ' A' ' 13' ' ' GLU . 61.7 mtp180 . . . . . 0 C--O 1.218 -0.577 0 N-CA-C 109.277 -0.638 . . . . 73.54 109.277 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.469 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 54.5 m-85 -73.88 157.27 36.6 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.043 -0.981 . . . . 65.13 109.299 176.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.531 HD13 ' CD1' ' A' ' 89' ' ' TRP . 50.1 tp -67.05 -25.9 66.48 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.354 0.525 . . . . 75.55 110.741 176.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.4 tp -62.5 -41.12 98.61 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.033 0.444 . . . . 63.01 110.929 170.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.13 -29.72 60.62 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.8 -0.636 . . . . 73.43 110.671 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 77.6 mm-40 -67.03 -49.02 66.58 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 123.032 0.533 . . . . 63.4 111.949 178.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.63 -22.75 65.32 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.655 0.613 . . . . 74.32 112.655 -173.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -70.22 -18.21 63.16 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.578 0.751 . . . . 72.4 112.158 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -128.32 11.16 6.35 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.332 0.494 . . . . 64.05 112.332 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.55 135.55 44.93 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.738 -0.21 . . . . 74.52 110.602 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -98.24 -27.07 14.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.614 0.721 . . . . 74.31 109.739 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 33.0 ttp -131.75 143.6 50.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.98 -1.009 . . . . 61.11 109.955 -170.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mt -134.95 155.2 51.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.443 -0.577 . . . . 61.03 109.443 176.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -133.05 152.05 51.99 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.252 -1.018 . . . . 62.21 108.252 171.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.648 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 7.1 tt -131.63 115.95 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-O 122.174 0.987 . . . . 71.14 111.578 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.416 ' HA ' ' HB3' ' A' ' 99' ' ' GLN . 35.4 m-20 60.63 23.0 12.8 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.39 1.476 . . . . 72.22 112.274 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.85 -11.53 66.16 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 116.486 -0.325 . . . . 72.04 113.248 -177.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 tt -89.15 122.33 32.34 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 107.938 -1.134 . . . . 72.15 107.938 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -74.72 124.06 26.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.805 -0.634 . . . . 70.02 112.157 -171.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.94 128.89 38.96 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.88 -0.6 . . . . 72.53 109.696 171.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.6 p-90 -88.67 -25.14 22.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.232 0.539 . . . . 73.21 110.484 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -142.63 138.36 30.65 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.879 -0.601 . . . . 75.01 110.031 -175.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -135.47 152.55 51.46 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.31 0.576 . . . . 75.34 110.547 168.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -111.35 140.98 45.48 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.938 -1.028 . . . . 54.45 109.404 -176.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 mt -113.81 135.69 53.68 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.91 -0.586 . . . . 72.42 109.846 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -78.36 89.02 4.36 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 108.698 -0.853 . . . . 65.15 108.698 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.77 -21.98 56.88 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 122.448 0.299 . . . . 64.31 111.53 -172.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -64.87 -46.77 80.43 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.277 0.631 . . . . 73.44 110.567 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 tp -80.51 -28.76 37.36 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.579 -0.737 . . . . 75.41 111.425 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.6 mt -77.1 -25.23 51.98 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.726 0.41 . . . . 60.15 112.016 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.27 -37.47 83.49 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 109.827 -0.434 . . . . 72.33 109.827 173.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -79.61 -25.53 41.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.846 -0.615 . . . . 74.35 112.072 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.18 -42.02 69.57 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.026 -0.534 . . . . 73.31 111.075 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.72 -29.19 40.59 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.969 -0.559 . . . . 74.22 110.336 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.0 tt -56.87 -46.73 81.64 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.012 0.925 . . . . 75.15 110.711 171.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.51 -41.15 69.57 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.31 -0.859 . . . . 55.4 110.966 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.93 77.07 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.654 0.613 . . . . 74.23 112.654 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.24 -18.06 61.85 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 122.725 0.41 . . . . 64.14 111.692 175.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.76 8.89 43.9 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 111.656 0.243 . . . . 74.25 111.656 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 63.77 34.78 11.72 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.067 1.347 . . . . 45.42 111.219 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 87.1 mt-30 -113.26 123.69 32.91 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.323 -0.853 . . . . 74.25 109.478 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 48' ' ' GLN . 10.3 Cg_exo -68.49 123.28 10.33 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 121.906 1.737 . . . . 63.33 111.796 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -94.84 132.44 39.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.326 -0.62 . . . . 72.03 109.326 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.21 121.55 13.98 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.995 -0.548 . . . . 74.32 110.656 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 74' ' ' TYR . 46.9 t -139.42 145.4 38.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.274 -0.876 . . . . 60.13 110.059 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -102.37 12.98 35.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 73.33 110.917 174.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -79.41 170.65 16.28 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 108.187 -1.042 . . . . 72.43 108.187 172.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.0 p-90 -73.71 156.2 38.15 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.145 0.497 . . . . 72.33 109.671 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 p -140.68 -22.16 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 121.129 0.49 . . . . 74.44 111.733 172.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -133.87 126.25 30.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.106 -0.702 . . . . 65.15 109.106 -172.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 70' ' ' TRP . . . -130.54 106.49 8.55 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 120.548 0.214 . . . . 75.53 111.214 173.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -100.4 118.69 47.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-O 120.716 0.293 . . . . 72.12 110.894 -176.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -101.13 119.5 38.83 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.514 -0.551 . . . . 75.15 109.514 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.6 m -124.72 142.6 51.28 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.17 -0.923 . . . . 70.22 109.576 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.487 ' HA ' ' O ' ' A' ' 66' ' ' THR . 9.6 mp -95.99 117.44 30.67 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.119 0.485 . . . . 55.31 110.143 176.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -106.65 99.86 9.41 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-O 122.332 1.063 . . . . 54.41 108.843 172.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.38 -107.0 2.77 Favored Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 110.466 -1.054 . . . . 74.41 110.466 -169.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -123.36 8.43 9.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.691 0.758 . . . . 74.03 109.147 170.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.487 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 11.5 m -86.18 127.1 34.67 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 114.696 -1.138 . . . . 50.45 110.783 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -92.78 99.83 12.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.351 0.596 . . . . 72.3 110.275 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -98.99 118.19 35.21 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.732 -1.122 . . . . 71.02 109.365 -175.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.494 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -116.74 140.75 49.06 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.138 -0.625 . . . . 74.43 111.422 179.28 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.426 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 19.6 m-90 -115.45 123.16 47.89 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.862 -0.792 . . . . 74.3 108.862 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -108.68 117.59 34.57 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.876 -0.416 . . . . 74.0 109.876 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -107.76 146.81 31.67 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.318 -0.855 . . . . 75.24 111.288 -174.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 m -72.36 158.97 34.79 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.266 0.979 . . . . 71.11 110.731 177.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 52' ' ' SER . 83.9 t80 -62.59 -44.73 95.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.698 -0.683 . . . . 74.4 111.556 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -64.25 -31.21 72.33 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.652 0.612 . . . . 74.14 112.652 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.04 -33.88 75.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.973 0.509 . . . . 50.21 111.884 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.0 t -76.7 -30.47 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.342 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.2 mmt -66.75 -37.02 83.82 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.499 0.555 . . . . 64.5 112.499 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -92.27 7.26 43.53 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.47 0.545 . . . . 73.51 112.47 -176.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 90' ' ' ARG . . . -59.13 124.55 20.32 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.531 0.567 . . . . 54.35 112.531 177.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -92.06 135.05 27.64 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 115.47 -0.786 . . . . 74.12 111.593 -174.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -70.48 120.72 7.34 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.249 1.966 . . . . 52.43 112.548 175.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -80.55 173.38 12.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.391 -0.822 . . . . 75.53 109.877 176.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.27 -12.23 60.24 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 121.021 0.439 . . . . 74.5 111.836 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.65 -22.54 62.49 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.789 0.836 . . . . 73.15 111.122 171.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.73 -16.46 14.74 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 114.602 0.601 . . . . 71.04 114.602 174.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -122.6 -6.66 8.63 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 117.715 0.758 . . . . 71.03 110.24 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.7 m -96.66 144.99 26.17 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.96 -0.563 . . . . 75.3 110.139 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.531 ' CD1' HD13 ' A' ' 10' ' ' LEU . 43.5 m95 -131.92 146.54 52.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.473 -0.785 . . . . 73.01 110.341 -174.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 80' ' ' ALA . 80.0 mtt180 -91.45 108.65 20.04 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.898 -0.408 . . . . 73.52 109.898 170.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -89.31 99.61 12.57 Favored 'General case' 0 N--CA 1.438 -1.062 0 N-CA-C 107.205 -1.406 . . . . 71.41 107.205 176.295 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.6 p -95.59 114.35 26.09 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.595 -1.184 . . . . 74.24 110.777 -170.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.1 p -118.56 -173.87 2.56 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.015 -0.993 . . . . 75.55 109.975 -176.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.04 -22.34 78.02 Favored Glycine 0 CA--C 1.523 0.563 0 CA-C-N 116.087 -0.506 . . . . 64.31 112.115 171.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -73.77 -38.84 64.55 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.125 0.57 . . . . 72.22 110.397 175.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.15 -112.09 0.51 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.04 -0.6 . . . . 70.04 112.521 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.12 138.29 18.33 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.044 -0.354 . . . . 70.54 110.044 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.483 ' HB3' HD11 ' A' ' 22' ' ' ILE . 97.5 m-85 -131.27 130.89 43.4 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 123.734 0.814 . . . . 61.05 109.352 -176.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.648 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 18.7 tt0 -85.62 102.1 13.27 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 120.694 -0.402 . . . . 72.31 111.558 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.8 mt -93.23 123.21 36.35 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 109.292 -0.633 . . . . 65.42 109.292 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -117.17 121.19 40.54 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.091 0.472 . . . . 73.24 110.117 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.0 p -82.92 127.52 33.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.011 -0.995 . . . . 72.14 110.934 -175.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 57.7 mt . . . . . 0 C--N 1.322 -0.605 0 N-CA-C 108.485 -0.932 . . . . 74.35 108.485 -178.887 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 . . . . . 0 N--CA 1.439 -1.015 0 N-CA-C 108.895 -0.78 . . . . 75.0 108.895 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.529 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 79.0 m-85 -89.93 173.47 8.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.352 -1.294 . . . . 70.43 108.231 171.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.502 HD13 ' CD1' ' A' ' 89' ' ' TRP . 51.4 tp -61.0 -32.66 72.23 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.348 0.405 . . . . 71.22 111.061 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.452 HD11 HD22 ' A' ' 37' ' ' LEU . 52.6 tp -55.53 -47.75 75.79 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 124.381 1.051 . . . . 61.23 111.987 173.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -77.28 -24.1 51.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.938 -0.574 . . . . 61.51 110.955 -177.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 46.6 mm-40 -75.36 -37.57 60.56 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 115.733 -0.667 . . . . 74.11 112.555 -178.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.552 HD13 HD22 ' A' ' 32' ' ' LEU . 3.1 pp -71.71 -24.75 61.85 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.916 0.388 . . . . 74.21 111.912 -178.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -80.71 -19.46 45.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.3 -0.864 . . . . 72.34 112.163 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.9 p -113.48 10.98 18.3 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.638 0.256 . . . . 74.4 111.679 -178.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.592 ' HB2' ' HB3' ' A' ' 102' ' ' CYS . . . -100.02 154.43 18.4 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.305 -0.407 . . . . 52.14 111.666 -176.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -102.04 -34.29 9.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.111 -0.495 . . . . 65.21 109.85 174.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.429 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 46.2 mtm -131.69 163.63 27.71 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.803 -0.635 . . . . 34.14 109.545 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.36 129.95 45.44 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.512 -0.921 . . . . 72.42 108.512 172.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -117.69 130.34 56.28 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.548 -0.908 . . . . 61.43 108.548 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.565 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.3 tt -124.62 113.28 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 CA-C-O 121.937 0.875 . . . . 63.13 111.998 -172.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 t70 61.03 27.11 17.0 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 114.389 -1.278 . . . . 34.05 111.796 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.11 0.21 63.69 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.729 -0.669 . . . . 25.23 113.183 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.3 tp -111.64 115.69 29.55 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.751 -0.462 . . . . 73.11 109.751 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -68.11 116.84 9.19 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.025 -0.534 . . . . 64.1 110.967 -177.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.82 125.28 29.1 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 108.092 -1.077 . . . . 64.44 108.092 168.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -21.16 58.51 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 123.597 0.561 . . . . 63.23 111.755 -172.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -158.74 173.27 16.81 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.092 -0.707 . . . . 65.12 109.092 169.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -147.42 161.24 41.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.534 -0.757 . . . . 74.42 110.667 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 5.9 mm-40 -127.36 138.8 53.11 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 115.804 -0.635 . . . . 74.31 109.599 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.552 HD22 HD13 ' A' ' 14' ' ' LEU . 48.0 mt -118.81 136.88 53.76 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.057 -0.974 . . . . 71.42 109.478 -177.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.559 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 55.6 t30 -85.63 89.1 7.64 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.734 -0.469 . . . . 75.42 109.734 177.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -68.6 -30.12 68.79 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.723 -1.126 . . . . 75.32 112.541 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -57.58 -43.49 84.62 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 124.219 0.95 . . . . 64.41 111.302 173.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.4 tp -81.7 -23.86 36.55 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.063 -0.517 . . . . 75.52 110.985 -178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 38.5 mt -76.37 -27.06 56.25 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.246 -0.434 . . . . 64.22 111.337 177.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.19 -47.4 77.07 Favored 'General case' 0 C--O 1.221 -0.441 0 O-C-N 123.832 0.708 . . . . 52.41 109.756 172.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -69.66 -28.69 66.09 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 124.117 0.885 . . . . 75.24 111.538 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.45 -48.12 70.98 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.818 0.699 . . . . 53.23 111.802 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.21 -29.59 61.8 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.989 -0.551 . . . . 71.1 111.237 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 tt -60.9 -47.94 84.11 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.46 1.104 . . . . 72.25 110.548 174.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.8 -34.58 64.69 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.984 -0.553 . . . . 52.52 111.267 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.54 -33.41 75.84 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.863 0.363 . . . . 74.41 111.787 178.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -80.12 -5.0 55.2 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.873 -0.603 . . . . 74.14 112.265 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.28 9.99 35.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.635 -0.257 . . . . 53.55 110.695 171.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 t70 71.58 12.47 6.44 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 124.701 1.2 . . . . 63.35 111.388 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -101.67 122.45 47.62 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.624 -0.716 . . . . 63.54 110.164 -174.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -63.79 125.05 14.64 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.789 2.326 . . . . 71.42 112.529 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -98.9 126.46 44.58 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.66 -0.7 . . . . 74.13 109.675 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -142.67 119.48 11.2 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.283 -0.636 . . . . 73.31 109.283 173.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.1 t -128.31 140.25 51.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.737 -0.665 . . . . 45.32 109.754 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -94.63 17.22 13.75 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 120.843 0.354 . . . . 65.4 111.145 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -85.21 168.62 14.6 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 107.882 -1.155 . . . . 74.1 107.882 167.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 4.9 p-90 -73.6 156.22 38.28 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.887 0.375 . . . . 71.13 110.74 -175.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.36 -27.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.359 -0.382 . . . . 73.34 111.304 171.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.73 131.01 51.44 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.569 0.7 . . . . 75.41 111.622 -171.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' A' ' 31' ' ' GLU . . . -131.54 102.74 6.05 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 114.443 -1.253 . . . . 55.04 109.657 169.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.491 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -102.92 137.06 32.51 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 107.546 -1.279 . . . . 72.13 107.546 176.457 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -134.4 148.47 50.66 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.772 -0.371 . . . . 72.11 110.536 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.5 t -145.3 121.56 10.88 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.217 -0.901 . . . . 71.41 109.44 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.7 mt -94.9 105.83 17.78 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.068 -1.086 . . . . 74.25 108.068 166.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.466 ' O ' HG22 ' A' ' 66' ' ' THR . 18.1 t70 -97.78 96.17 8.05 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 108.461 -0.94 . . . . 75.04 108.461 -178.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.74 -98.01 1.14 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.575 -1.01 . . . . 72.34 110.575 -169.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -129.83 4.34 4.96 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.251 0.22 . . . . 73.42 111.067 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 63' ' ' ASP . 11.7 t -90.83 149.41 21.97 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 110.22 -0.289 . . . . 74.42 110.22 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.82 131.82 54.71 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.503 0.668 . . . . 73.25 111.177 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -131.65 117.12 18.25 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.925 -1.034 . . . . 71.13 109.335 175.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -127.56 133.56 49.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.315 -0.624 . . . . 65.34 109.315 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.491 ' HB2' HG23 ' A' ' 59' ' ' VAL . 8.4 m-90 -117.12 123.32 46.48 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 108.612 -0.885 . . . . 73.42 108.612 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -109.65 116.85 32.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.608 -0.724 . . . . 72.34 109.845 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -114.63 142.98 45.75 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.994 -0.548 . . . . 72.11 110.452 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 66.3 p -82.06 163.69 21.89 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 124.191 0.932 . . . . 73.02 109.942 174.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -66.49 -32.28 73.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.923 -0.58 . . . . 74.2 110.528 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -67.33 -35.13 78.78 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 115.042 -0.981 . . . . 63.21 110.735 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.73 63.75 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 123.687 0.617 . . . . 51.3 112.119 177.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.5 t -70.76 -26.19 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.254 0.622 . . . . 74.05 110.942 173.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.4 mmt -74.21 -26.34 60.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.088 -0.506 . . . . 72.33 111.599 171.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.54 11.01 32.42 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.167 0.587 . . . . 74.14 111.631 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.35 117.62 17.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.869 -0.605 . . . . 54.51 110.858 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -80.95 128.33 71.64 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 114.479 -1.237 . . . . 72.42 110.163 -175.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -66.37 121.83 9.19 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 121.661 1.574 . . . . 74.14 111.692 173.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -86.78 168.16 13.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.012 -0.54 . . . . 73.53 110.123 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.53 -16.08 62.32 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.485 0.55 . . . . 54.11 112.485 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.66 -23.82 62.58 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.466 0.706 . . . . 61.43 111.279 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.91 -14.64 25.21 Favored Glycine 0 C--N 1.34 0.804 0 N-CA-C 114.523 0.569 . . . . 74.12 114.523 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -117.64 -20.28 9.02 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 117.328 0.564 . . . . 72.2 110.714 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.4 m -90.31 146.88 23.86 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.635 -0.711 . . . . 65.55 110.332 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.502 ' CD1' HD13 ' A' ' 10' ' ' LEU . 67.3 m95 -127.27 151.23 49.01 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.571 -0.74 . . . . 74.43 109.63 178.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -104.42 100.37 10.07 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.201 -0.666 . . . . 74.0 109.201 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.52 98.83 11.91 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.53 -0.915 . . . . 72.24 108.53 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.1 p -100.75 119.95 39.37 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.235 -0.893 . . . . 73.31 110.131 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.1 p -116.42 -179.03 3.56 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.925 -1.034 . . . . 71.11 108.739 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -76.12 -24.65 68.32 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 120.901 -0.666 . . . . 73.41 111.484 171.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -75.58 -48.87 20.47 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.338 0.655 . . . . 55.13 110.096 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -164.14 -152.72 7.07 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.316 -0.469 . . . . 75.01 113.275 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -148.18 108.95 4.2 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.683 0.793 . . . . 72.25 109.566 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.454 ' HB3' HD11 ' A' ' 22' ' ' ILE . 86.2 m-85 -127.17 129.37 47.74 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 123.597 0.759 . . . . 75.55 110.278 -165.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.565 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 22.6 tt0 -89.74 105.03 17.53 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.806 -0.358 . . . . 71.12 111.222 -174.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 38.0 mt -91.07 111.56 23.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.895 0.378 . . . . 61.24 110.233 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -115.63 122.57 46.0 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.808 -0.812 . . . . 60.35 108.808 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.592 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 95.3 m -86.22 119.16 26.2 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.663 -0.699 . . . . 70.24 110.978 -178.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.429 ' HB2' ' HB2' ' A' ' 19' ' ' MET . 2.1 mt . . . . . 0 C--O 1.236 0.374 0 CA-C-N 116.034 -0.53 . . . . 65.41 110.169 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? . . . . . 0 CA--C 1.514 -0.438 0 CA-C-O 121.74 0.781 . . . . 74.44 111.82 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.543 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 61.7 m-85 -93.79 149.26 21.38 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.589 -1.187 . . . . 61.11 108.352 173.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.613 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 33.8 tp -64.07 -31.31 72.46 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 123.784 0.677 . . . . 63.0 110.723 176.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.08 -37.85 88.95 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.0 0.37 . . . . 51.55 112.0 173.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.62 -35.19 79.59 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.837 0.71 . . . . 64.21 110.609 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 22.2 mm-40 -65.88 -41.25 91.81 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 124.185 0.928 . . . . 73.35 111.421 178.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 50.3 mt -66.37 -42.19 88.35 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.545 1.153 . . . . 71.32 111.062 -178.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.18 -29.19 70.32 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.81 -0.632 . . . . 74.22 112.171 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.3 p -104.35 14.09 30.84 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.617 0.599 . . . . 72.24 112.617 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.46 128.16 54.55 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 120.826 0.346 . . . . 74.01 110.886 178.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -84.69 -38.17 20.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.87 0.843 . . . . 70.35 108.901 174.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.1 ttp -124.79 147.83 48.49 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 113.839 -1.528 . . . . 70.04 108.793 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.3 tp -139.04 129.58 25.84 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.217 -0.66 . . . . 65.33 109.217 -177.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -104.42 152.46 22.29 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.921 -0.311 . . . . 75.35 110.387 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.544 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 14.6 tt -136.46 116.89 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 CA-C-O 121.634 0.73 . . . . 72.24 111.588 174.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 t70 63.84 20.85 12.41 Favored 'General case' 0 CA--C 1.557 1.228 0 CA-C-N 114.425 -1.261 . . . . 71.11 112.241 174.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.16 0.39 55.96 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 120.986 -0.626 . . . . 72.4 113.389 -175.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.2 tp -115.35 116.66 28.65 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.97 0.508 . . . . 75.31 110.142 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -70.5 120.51 16.25 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 112.622 0.601 . . . . 74.35 112.622 -176.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.03 136.9 32.77 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.49 -0.323 . . . . 54.2 110.416 178.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.2 p-90 -83.61 -27.19 29.36 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.089 -0.505 . . . . 74.55 110.598 -174.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -146.99 149.06 32.39 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.291 -0.633 . . . . 72.0 109.291 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' HB3' HG12 ' A' ' 59' ' ' VAL . 52.8 p90 -139.09 150.3 45.54 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 121.326 0.584 . . . . 64.04 109.846 169.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -116.19 136.41 53.04 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.08 -0.964 . . . . 73.04 110.894 -176.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -111.36 136.23 50.78 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.215 -0.902 . . . . 65.34 109.775 176.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -77.81 102.46 7.22 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.599 -0.889 . . . . 74.14 108.599 175.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.97 -36.93 75.59 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 124.334 1.021 . . . . 73.12 111.833 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -62.46 -40.73 97.57 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 123.98 0.8 . . . . 64.25 111.661 176.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.7 tp -79.7 -27.39 40.7 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.487 -0.324 . . . . 64.44 111.239 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.2 mt -81.83 -17.56 47.0 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 111.954 0.353 . . . . 53.03 111.954 176.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -68.05 -42.71 80.09 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 109.134 -0.691 . . . . 61.32 109.134 170.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -75.86 -27.39 57.78 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 114.851 -1.068 . . . . 62.33 111.137 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.17 -44.5 79.56 Favored 'General case' 0 C--O 1.222 -0.351 0 O-C-N 123.514 0.509 . . . . 53.5 111.375 175.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.52 -36.16 73.59 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.388 -0.823 . . . . 72.53 110.577 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.8 -49.51 76.04 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 124.379 1.05 . . . . 72.44 110.364 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.3 -36.0 76.58 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.856 0.723 . . . . 74.53 111.496 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.18 79.66 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 123.337 0.398 . . . . 33.51 111.527 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.06 -26.9 62.36 Favored 'General case' 0 C--O 1.225 -0.194 0 N-CA-C 112.397 0.517 . . . . 74.52 112.397 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.77 5.45 32.36 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.593 0.558 . . . . 73.12 111.334 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 t70 65.73 31.72 9.46 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.998 1.319 . . . . 72.14 110.822 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -118.43 114.67 36.22 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 114.646 -1.161 . . . . 61.14 109.273 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.84 124.71 16.92 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.731 2.287 . . . . 64.43 112.342 169.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.411 ' HD2' ' CZ ' ' A' ' 74' ' ' TYR . 47.6 t80 -93.06 137.96 31.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.31 -0.859 . . . . 71.02 110.173 -173.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.53 132.01 18.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.067 -0.515 . . . . 62.25 109.795 175.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -144.8 154.83 43.1 Favored 'General case' 0 CA--C 1.518 -0.25 0 C-N-CA 123.028 0.531 . . . . 73.4 109.669 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -98.61 3.43 47.93 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.212 0.449 . . . . 73.33 112.212 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.53 163.75 27.59 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.348 -0.612 . . . . 75.54 109.348 173.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.479 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 8.7 p-90 -68.49 149.58 49.1 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 109.875 -0.417 . . . . 72.43 109.875 -178.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 p -135.52 -19.68 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.405 -0.518 . . . . 41.3 111.07 172.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.32 115.57 8.45 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.194 0.521 . . . . 73.34 110.513 -171.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.86 109.16 13.27 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.461 -0.79 . . . . 74.02 109.888 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.424 HG12 ' HB3' ' A' ' 30' ' ' PHE . 35.3 m -99.87 135.4 35.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.079 0.466 . . . . 74.1 110.441 -177.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -110.4 129.09 55.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.037 -0.529 . . . . 74.44 109.794 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.429 ' HB3' ' CZ3' ' A' ' 70' ' ' TRP . 38.3 t -135.92 132.87 37.04 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.748 -0.834 . . . . 73.22 108.748 174.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.8 mt -95.37 106.52 18.58 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.377 -0.828 . . . . 74.3 109.022 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.416 ' O ' HG22 ' A' ' 66' ' ' THR . 4.7 p-10 -96.13 117.05 29.95 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.765 -0.828 . . . . 71.33 108.765 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.16 -111.54 3.46 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 109.501 -1.44 . . . . 64.21 109.501 -166.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -132.04 21.38 4.51 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.425 0.29 . . . . 72.23 110.798 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 63' ' ' ASP . 3.9 t -97.0 160.77 14.15 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.654 0.264 . . . . 74.21 110.932 -177.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -101.08 120.83 40.79 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.715 -0.476 . . . . 65.13 109.715 175.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.4 ttm105 -141.82 137.14 31.27 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.794 -0.447 . . . . 73.12 109.794 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.17 155.4 38.56 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.028 -0.533 . . . . 72.35 110.681 178.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.429 ' CZ3' ' HB3' ' A' ' 61' ' ' SER . 6.8 m-90 -124.94 122.78 38.34 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.979 -1.489 . . . . 74.22 106.979 174.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -114.13 126.3 54.93 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.197 0.523 . . . . 74.54 109.639 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -121.4 139.17 53.79 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.36 -0.836 . . . . 54.53 110.017 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 64.5 p -72.75 163.11 28.61 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.309 -0.859 . . . . 55.44 110.198 174.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.411 ' CZ ' ' HD2' ' A' ' 50' ' ' PHE . 40.2 t80 -60.08 -34.5 73.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.679 -1.146 . . . . 64.33 110.334 175.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.437 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -74.64 -37.5 62.75 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 114.521 -1.218 . . . . 73.32 111.69 -178.336 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.6 -35.46 80.24 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 123.589 0.556 . . . . 71.11 111.79 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.5 t -70.36 -30.13 41.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 123.706 0.802 . . . . 71.23 111.285 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.4 mmt -76.26 -25.87 55.4 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.803 0.668 . . . . 51.1 112.803 174.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 75' ' ' ASN . 52.4 mt-10 -84.1 -6.57 59.43 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 123.49 0.494 . . . . 71.42 112.264 -179.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.466 ' HB2' HD22 ' A' ' 91' ' ' LEU . . . -64.59 120.31 12.12 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.433 1.083 . . . . 73.41 112.322 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -82.91 133.42 48.61 Favored Pre-proline 0 N--CA 1.444 -0.77 0 CA-C-N 114.189 -1.369 . . . . 53.3 110.116 -174.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -64.38 129.39 23.84 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 121.978 1.785 . . . . 64.34 111.666 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -97.42 154.83 17.22 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.801 -0.36 . . . . 52.32 110.106 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.56 -6.15 44.76 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.862 -0.608 . . . . 64.15 111.677 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -67.67 -22.69 65.28 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 114.988 -1.006 . . . . 74.34 111.061 172.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.21 -15.58 57.91 Favored Glycine 0 C--N 1.343 0.92 0 N-CA-C 114.939 0.736 . . . . 61.4 114.939 170.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -136.39 -9.73 1.94 Allowed 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.409 0.605 . . . . 74.14 111.452 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.1 m -101.8 154.57 18.79 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.075 0.464 . . . . 44.02 110.71 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.456 ' CD1' HD13 ' A' ' 10' ' ' LEU . 77.2 m95 -133.59 142.23 48.04 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.018 -0.992 . . . . 74.51 110.188 -176.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 80' ' ' ALA . 7.8 tmm_? -89.66 98.52 11.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.41 -0.814 . . . . 75.41 109.981 -178.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -93.51 130.19 39.46 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.31 -0.996 . . . . 64.24 108.31 176.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.6 m -133.66 133.11 41.51 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.895 -0.779 . . . . 75.22 108.895 171.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.1 p -127.07 -173.28 2.85 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 124.215 0.947 . . . . 71.05 110.237 -175.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.17 -12.51 84.27 Favored Glycine 0 C--N 1.342 0.883 0 O-C-N 123.738 0.649 . . . . 54.02 112.854 170.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -87.48 -48.97 7.51 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.691 -0.485 . . . . 72.04 109.691 175.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 171.27 -164.31 37.27 Favored Glycine 0 N--CA 1.446 -0.667 0 O-C-N 123.588 0.555 . . . . 61.14 112.589 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.53 128.99 55.59 Favored 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 122.981 0.512 . . . . 50.43 110.537 -172.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -130.69 157.95 41.4 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.364 1.066 . . . . 74.21 109.733 -173.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.544 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 45.7 tt0 -121.95 107.56 12.4 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 121.828 -0.545 . . . . 74.13 110.903 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.4 mt -92.23 113.18 25.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.186 0.517 . . . . 72.53 110.633 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -115.79 123.9 49.39 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.57 -0.741 . . . . 72.31 110.419 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.3 p -84.71 133.6 34.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.541 -0.754 . . . . 72.21 111.007 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 98.6 mt . . . . . 0 C--O 1.234 0.288 0 CA-C-N 116.024 -0.535 . . . . 64.23 109.81 178.14 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 121.481 0.658 . . . . 63.44 110.263 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -86.78 176.61 7.64 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 114.768 -1.106 . . . . 74.32 108.473 171.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.93 -29.19 69.0 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.758 0.313 . . . . 71.1 110.569 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.1 tp -70.49 -31.21 68.22 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.492 -0.777 . . . . 74.13 111.49 174.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -80.12 -26.07 39.63 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.276 0.56 . . . . 64.3 110.067 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.427 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 32.4 mm-40 -84.6 -24.98 28.93 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 113.572 0.953 . . . . 75.42 113.572 -176.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pp -78.04 -21.83 50.09 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.592 0.633 . . . . 63.22 111.966 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -75.77 -26.45 57.38 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.804 -0.634 . . . . 74.54 111.091 172.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 p -102.86 27.03 7.39 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 116.035 -0.529 . . . . 74.25 110.737 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.48 147.83 50.7 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-O 121.198 0.523 . . . . 64.12 111.873 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -100.56 -51.52 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.844 -1.071 . . . . 75.44 109.382 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.543 ' HG3' ' HB2' ' A' ' 103' ' ' LEU . 11.9 ptt? -123.14 152.4 41.17 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.441 -1.254 . . . . 74.05 109.124 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HG ' ' CD2' ' A' ' 30' ' ' PHE . 20.0 mt -110.3 170.36 8.13 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 109.252 -0.647 . . . . 64.43 109.252 175.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.498 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 36.7 tt0 -138.43 137.61 37.38 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.557 -0.905 . . . . 72.02 108.557 174.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.2 mt -120.77 102.04 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.626 -0.509 . . . . 75.21 109.626 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.6 t70 65.43 30.1 11.02 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.102 1.361 . . . . 65.3 111.499 173.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.65 -22.19 40.76 Favored Glycine 0 C--O 1.23 -0.119 0 C-N-CA 120.929 -0.653 . . . . 41.23 112.94 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tt -85.03 109.73 18.42 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.002 -1.11 . . . . 73.33 108.002 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -68.06 121.56 16.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.029 -0.532 . . . . 75.03 110.462 -177.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.39 137.83 38.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.186 -0.916 . . . . 51.11 109.518 176.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -82.07 -33.94 29.64 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 120.784 -0.366 . . . . 74.52 111.081 -174.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -155.54 137.78 14.78 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.912 -0.403 . . . . 74.51 109.912 -172.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.431 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 31.9 p90 -125.22 161.84 26.01 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.451 -0.795 . . . . 61.21 109.852 172.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 47.8 mt-10 -125.63 140.38 52.78 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.728 -0.669 . . . . 64.21 109.798 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.7 mt -114.88 134.04 55.48 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.804 -0.443 . . . . 72.23 109.804 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.503 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.0 t-20 -78.76 91.93 4.76 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.561 -0.903 . . . . 73.14 108.561 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -70.72 -27.31 63.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.303 -0.862 . . . . 50.14 111.615 -175.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -64.17 -47.4 79.97 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.918 0.887 . . . . 54.32 111.625 173.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.7 tp -72.79 -27.23 61.87 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 122.399 0.28 . . . . 71.14 110.894 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 54.8 mt -80.1 -20.59 44.73 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 112.361 0.504 . . . . 70.02 112.361 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -68.51 -39.69 81.12 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 123.629 0.581 . . . . 63.23 109.767 171.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -76.74 -28.54 55.8 Favored 'General case' 0 C--O 1.224 -0.282 0 O-C-N 124.371 1.044 . . . . 63.12 111.079 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.7 -33.64 66.6 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-N 115.744 -0.662 . . . . 71.32 110.901 177.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -76.94 -36.62 56.42 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.427 -0.806 . . . . 60.23 110.641 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.81 -47.17 87.55 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.794 1.238 . . . . 72.23 110.255 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.51 80.65 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 124.026 0.829 . . . . 45.44 111.507 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.52 94.24 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.338 0.399 . . . . 71.12 111.703 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -74.25 -21.95 59.55 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.962 -0.563 . . . . 75.43 112.152 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.67 0.81 55.17 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 122.917 0.487 . . . . 75.42 111.729 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.1 t70 67.52 28.83 7.47 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.617 1.567 . . . . 73.53 111.894 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -113.04 124.76 30.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.056 -0.975 . . . . 74.14 109.52 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -58.76 130.31 36.37 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.585 2.19 . . . . 52.31 111.64 171.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -98.95 127.58 44.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.257 0.551 . . . . 71.41 110.387 -176.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -133.47 127.52 33.45 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.808 -0.812 . . . . 70.22 108.808 174.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.2 t -149.14 134.9 18.79 Favored 'General case' 0 C--O 1.222 -0.38 0 O-C-N 123.396 0.435 . . . . 71.35 110.324 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -91.47 14.27 15.27 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.446 0.535 . . . . 63.14 112.446 176.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -78.05 157.07 29.71 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 108.34 -0.985 . . . . 61.34 108.34 169.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.499 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 10.0 p-90 -64.67 149.46 49.01 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.691 0.619 . . . . 72.44 110.506 -177.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.03 -19.82 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.259 0.552 . . . . 71.55 110.501 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' A' ' 31' ' ' GLU . 60.2 tp -148.7 111.45 4.8 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-O 121.409 0.623 . . . . 75.43 111.27 -169.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.37 103.69 13.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.581 -0.736 . . . . 14.02 109.208 175.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 t -100.08 124.48 53.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.48 -0.782 . . . . 73.51 108.938 -173.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -121.64 141.71 50.85 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.457 0.646 . . . . 54.24 111.123 -177.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.3 m -134.86 153.79 51.91 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.541 -1.209 . . . . 74.03 109.602 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.43 ' HA ' ' O ' ' A' ' 66' ' ' THR . 6.4 mp -123.38 107.84 12.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.705 -0.225 . . . . 75.45 111.134 176.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -97.71 115.96 28.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.358 -0.979 . . . . 64.25 108.358 171.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.03 -95.83 1.42 Allowed Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.381 -1.088 . . . . 63.01 110.381 -167.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -151.24 27.37 0.68 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.662 0.785 . . . . 53.45 111.07 171.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 9.0 t -97.67 146.72 25.05 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.128 -0.629 . . . . 74.03 110.193 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -93.91 100.05 12.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.048 0.451 . . . . 72.51 110.084 -176.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -98.95 115.34 28.67 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.867 -0.606 . . . . 74.14 110.449 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -122.84 130.76 53.27 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.098 -0.501 . . . . 74.24 110.21 -175.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -121.44 121.94 38.68 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.565 -0.902 . . . . 75.12 108.565 175.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -102.52 119.56 39.04 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.529 -0.545 . . . . 71.04 109.529 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -104.81 136.76 43.71 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.051 -0.977 . . . . 72.13 108.575 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 77.7 p -80.05 166.58 21.4 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.808 -0.633 . . . . 74.12 110.3 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -61.64 -37.28 83.42 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 115.406 -0.815 . . . . 74.21 109.768 175.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -68.19 -36.2 79.21 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 124.554 1.159 . . . . 72.44 111.279 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.87 -40.53 79.25 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.608 0.568 . . . . 73.14 111.545 176.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 37.5 t -66.23 -30.72 50.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 124.193 0.997 . . . . 72.32 112.023 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.4 mmt -67.22 -51.67 50.41 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.398 -0.364 . . . . 65.2 111.675 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -80.65 -1.93 44.43 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.695 0.628 . . . . 72.23 112.695 -176.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.99 126.8 29.16 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.56 0.695 . . . . 60.15 110.719 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.461 ' HB3' ' HB3' ' A' ' 90' ' ' ARG . 22.3 tt0 -83.12 129.77 59.78 Favored Pre-proline 0 N--CA 1.44 -0.973 0 CA-C-N 113.52 -1.673 . . . . 73.23 111.143 -167.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -69.46 122.83 9.59 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.792 1.661 . . . . 71.44 111.194 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -87.49 166.05 15.07 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.879 -0.6 . . . . 71.51 109.632 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.94 -4.66 39.41 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.94 -0.573 . . . . 62.51 112.313 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.95 -24.77 59.69 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.565 0.746 . . . . 74.34 110.929 172.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.93 -14.49 37.5 Favored Glycine 0 C--N 1.34 0.76 0 N-CA-C 115.392 0.917 . . . . 55.41 115.392 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -125.39 -20.73 4.71 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 117.465 0.633 . . . . 71.03 110.802 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.6 m -89.79 146.79 24.22 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.949 -0.569 . . . . 53.4 110.797 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -128.4 158.98 36.79 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 114.622 -1.172 . . . . 74.23 109.824 -175.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.461 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 68.2 ttt180 -120.06 103.17 9.06 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 121.282 0.563 . . . . 71.41 110.565 -175.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.02 135.8 33.5 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.87 -1.059 . . . . 75.03 108.415 172.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.9 t -125.94 130.15 50.69 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.453 -0.943 . . . . 71.11 108.453 172.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 76.9 p -129.18 -174.73 3.35 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.748 -0.66 . . . . 71.24 109.331 -175.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.47 -20.21 78.77 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.079 -0.581 . . . . 71.33 112.535 174.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.01 -45.76 19.55 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 122.845 0.458 . . . . 75.52 109.786 177.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.17 -117.42 0.63 Allowed Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.974 -0.632 . . . . 73.24 112.725 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -142.23 151.56 42.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 122.928 0.491 . . . . 54.42 109.739 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -139.91 121.31 15.03 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 109.263 -0.643 . . . . 72.41 109.263 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -90.37 108.86 20.04 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 119.968 -0.693 . . . . 73.42 109.457 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.498 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 10.3 mt -95.27 109.03 21.21 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 120.614 0.245 . . . . 71.13 111.408 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -104.95 128.83 53.38 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.259 -0.576 . . . . 74.52 110.227 174.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 63.9 m -85.59 132.96 34.08 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.953 -1.021 . . . . 62.33 110.953 -178.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.543 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 87.9 mt . . . . . 0 C--O 1.224 -0.279 0 CA-C-N 115.431 -0.804 . . . . 52.44 110.542 -168.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 . . . . . 0 CA--C 1.501 -0.915 0 N-CA-C 107.225 -1.398 . . . . 60.22 107.225 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -74.22 172.9 10.96 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.372 -1.285 . . . . 72.45 109.019 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.429 HD13 ' CD1' ' A' ' 89' ' ' TRP . 54.5 tp -62.68 -31.64 72.57 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.973 -0.291 . . . . 74.4 110.698 174.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.48 HD11 HD22 ' A' ' 37' ' ' LEU . 66.9 tp -61.11 -41.29 96.43 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 124.098 0.874 . . . . 73.25 112.26 173.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -80.06 -25.76 39.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.77 0.319 . . . . 71.34 110.903 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -80.82 -27.33 36.58 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 113.529 0.937 . . . . 74.33 113.529 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.458 HD22 HD21 ' A' ' 57' ' ' LEU . 2.9 pp -75.34 -21.32 58.47 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.532 0.606 . . . . 72.02 111.472 179.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -76.77 -33.22 58.07 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.7 -0.682 . . . . 71.2 110.963 175.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 p -98.12 -5.89 32.72 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.929 0.714 . . . . 61.43 112.929 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.77 136.92 32.78 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 120.782 0.325 . . . . 41.3 110.798 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.84 -34.44 11.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.42 -0.809 . . . . 72.42 110.176 175.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 19.1 ttt -118.16 141.39 48.54 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.585 -0.734 . . . . 72.54 109.268 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 tp -132.93 125.42 29.79 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.985 -0.746 . . . . 53.43 108.985 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -115.03 148.52 38.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.117 -0.492 . . . . 74.32 110.624 -175.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 52.5 mt -123.52 96.55 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 121.018 0.437 . . . . 64.5 110.18 173.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.2 t70 50.75 63.3 2.28 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 113.931 -1.486 . . . . 61.22 113.186 173.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.7 0.68 69.05 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 115.331 -0.849 . . . . 64.32 114.218 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.1 tp -120.68 108.24 13.76 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 108.568 -0.901 . . . . 63.14 108.568 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -70.74 132.39 45.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.345 -0.389 . . . . 73.25 110.528 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.51 125.14 28.87 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.659 -1.237 . . . . 51.2 107.659 171.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -75.09 -27.62 59.97 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.743 0.306 . . . . 74.22 110.646 -172.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -150.31 165.04 34.24 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.421 -0.955 . . . . 72.55 108.421 171.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -146.0 167.48 23.23 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.031 0.443 . . . . 74.53 111.164 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -137.52 128.33 27.14 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.788 -0.642 . . . . 73.43 109.631 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.5 mt -102.82 133.2 48.28 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 107.783 -1.191 . . . . 73.03 107.783 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.507 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 42.4 t-20 -75.21 93.31 2.81 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 109.329 -0.619 . . . . 72.31 109.329 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.94 -35.95 82.82 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.088 0.955 . . . . 73.13 112.413 -174.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -64.09 -43.43 95.42 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 124.164 0.915 . . . . 73.12 111.8 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.8 tp -79.2 -25.48 42.72 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.587 -0.278 . . . . 71.2 111.335 -178.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 18.1 mt -82.67 -18.05 42.38 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 111.847 0.314 . . . . 73.14 111.847 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 19.2 t70 -68.85 -42.32 77.24 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 109.339 -0.615 . . . . 64.03 109.339 169.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -75.3 -30.98 60.54 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.812 0.695 . . . . 72.01 111.529 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.99 84.78 Favored 'General case' 0 CA--C 1.519 -0.212 0 O-C-N 123.695 0.622 . . . . 52.31 111.469 177.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 9.4 t70 -79.16 -31.91 44.1 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.332 -0.849 . . . . 74.44 110.353 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 38' ' ' ASP . 6.1 tt -61.95 -46.81 87.66 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.392 1.077 . . . . 54.2 110.664 177.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.55 79.1 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.407 -0.815 . . . . 74.51 111.007 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.93 -34.0 77.12 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.481 0.488 . . . . 61.11 112.139 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 41' ' ' ASP . 13.6 mm-40 -75.65 -22.15 57.03 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.509 -0.314 . . . . 71.34 111.363 175.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.25 6.81 35.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 122.741 0.417 . . . . 74.42 111.845 174.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.0 t70 68.36 28.25 6.24 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 125.492 1.517 . . . . 72.1 111.326 177.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -115.47 137.12 22.92 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.51 -0.768 . . . . 72.2 109.837 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -68.41 133.28 27.72 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.132 1.888 . . . . 73.53 112.111 171.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -108.35 136.06 48.61 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.68 -0.489 . . . . 73.01 109.68 177.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -143.36 142.78 31.4 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.25 -0.648 . . . . 72.15 109.25 172.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.2 t -153.78 128.69 9.52 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.652 -0.87 . . . . 61.1 108.652 -174.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.77 16.39 14.18 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 116.157 -0.474 . . . . 64.11 111.543 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -83.12 168.58 16.72 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.25 -1.019 . . . . 74.04 108.25 169.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -69.89 147.61 50.06 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.012 0.434 . . . . 70.32 110.42 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.0 p -126.22 -26.75 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-O 121.239 0.542 . . . . 73.12 110.166 174.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.458 HD21 HD22 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -130.15 129.82 43.97 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.993 -0.548 . . . . 73.33 110.877 -176.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.73 97.78 5.29 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.271 -1.011 . . . . 74.4 108.271 168.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.48 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -101.93 121.99 53.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 113.981 -1.463 . . . . 73.34 108.963 -172.689 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -111.32 134.8 52.64 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 120.369 -0.532 . . . . 74.34 109.9 -177.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.9 t -133.0 159.27 40.5 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.917 -0.771 . . . . 61.4 108.917 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.1 mt -105.63 106.69 17.31 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.659 -0.867 . . . . 74.2 108.659 171.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.462 ' O ' HG22 ' A' ' 66' ' ' THR . 36.9 t70 -98.77 101.64 13.11 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.323 -0.621 . . . . 72.2 109.323 -177.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.72 -98.03 1.39 Allowed Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 108.927 -1.669 . . . . 71.4 108.927 -164.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -134.35 3.33 3.35 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 123.801 0.354 . . . . 73.4 111.506 172.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.462 HG22 ' O ' ' A' ' 63' ' ' ASP . 6.6 t -89.6 149.8 22.67 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.953 0.406 . . . . 74.11 110.523 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -93.04 106.08 18.09 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.083 -0.71 . . . . 74.03 109.083 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -108.65 115.45 30.12 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.662 -0.496 . . . . 73.51 109.662 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.476 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -108.85 143.98 37.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.424 -0.807 . . . . 52.31 109.585 176.775 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.48 ' HB2' HG23 ' A' ' 59' ' ' VAL . 14.8 m-90 -117.5 129.86 56.08 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.829 -0.804 . . . . 75.44 108.829 177.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 23.7 mtm180 -104.19 117.82 35.16 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.981 -0.748 . . . . 73.33 108.981 173.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -104.26 139.12 39.73 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 108.653 -0.869 . . . . 70.05 108.653 175.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 76.4 p -82.97 158.89 22.37 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 123.64 0.588 . . . . 72.51 109.883 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -68.06 -28.39 67.33 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.808 -0.633 . . . . 65.44 110.82 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -71.37 -31.31 67.18 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.506 0.722 . . . . 73.32 110.779 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.89 -24.15 44.35 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 123.545 0.528 . . . . 73.2 111.616 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.06 -26.89 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 122.975 0.51 . . . . 73.44 110.46 173.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.4 mmt -68.65 -41.07 79.86 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.064 -0.516 . . . . 70.43 112.196 173.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -89.85 -0.54 57.62 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.635 0.606 . . . . 71.23 112.635 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.54 120.28 7.48 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 123.739 0.816 . . . . 65.04 111.531 -176.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -76.41 126.55 86.18 Favored Pre-proline 0 C--O 1.239 0.532 0 CA-C-N 114.783 -1.099 . . . . 72.02 111.228 -168.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -72.25 114.53 4.01 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 121.88 1.72 . . . . 74.03 111.39 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -83.7 160.03 21.39 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.416 -0.811 . . . . 63.01 109.933 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.61 -4.85 45.14 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.498 -0.773 . . . . 62.02 111.916 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -74.56 -24.93 59.01 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.399 -0.364 . . . . 72.42 110.81 169.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.86 -15.31 21.42 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 114.808 0.683 . . . . 70.44 114.808 177.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -116.38 -34.04 4.74 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 117.554 0.677 . . . . 74.14 110.681 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.5 m -81.51 144.74 31.11 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.515 -0.766 . . . . 75.15 110.445 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.429 ' CD1' HD13 ' A' ' 10' ' ' LEU . 82.3 m95 -127.24 150.94 49.32 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.359 -0.978 . . . . 73.15 108.359 176.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -102.43 100.06 10.16 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.678 -0.49 . . . . 74.55 109.678 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.73 99.75 12.58 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.411 -0.813 . . . . 73.34 108.939 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 p -83.81 134.38 34.72 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.67 -0.695 . . . . 74.14 109.909 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.5 p -133.25 -179.02 5.25 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.298 -0.865 . . . . 73.32 110.947 -174.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.88 -17.38 80.17 Favored Glycine 0 CA--C 1.523 0.585 0 CA-C-N 115.908 -0.587 . . . . 54.53 111.776 171.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -81.52 -43.12 19.21 Favored 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 122.879 0.471 . . . . 62.14 110.981 173.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 167.21 -106.87 0.27 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.145 -0.55 . . . . 62.12 112.22 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.85 137.1 16.54 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.088 0.47 . . . . 70.14 110.374 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -126.35 134.9 50.96 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.518 -0.765 . . . . 71.22 109.587 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.543 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 15.1 tt0 -83.55 104.01 13.34 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.013 -0.736 . . . . 75.12 109.013 175.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.9 mt -92.31 106.51 18.5 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 108.648 -0.871 . . . . 50.42 108.648 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -109.16 119.68 40.26 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-O 121.446 0.641 . . . . 73.31 109.308 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 85.8 m -82.2 125.56 31.06 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 114.099 -1.409 . . . . 25.01 108.703 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 115.18 -0.918 . . . . 74.11 110.55 -175.239 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 . . . . . 0 N--CA 1.439 -0.98 0 N-CA-C 108.568 -0.901 . . . . 72.24 108.568 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.531 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 76.6 m-85 -99.25 167.94 10.35 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 106.248 -1.76 . . . . 71.2 106.248 165.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.56 HD13 ' CD1' ' A' ' 89' ' ' TRP . 48.2 tp -63.6 -24.84 67.96 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.477 0.486 . . . . 71.54 111.138 176.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.0 tp -66.88 -33.85 76.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.331 -0.85 . . . . 72.03 112.437 177.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -82.01 -24.25 35.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.312 0.577 . . . . 74.24 109.999 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 10.8 mm-40 -81.73 -33.05 31.29 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.442 -0.799 . . . . 61.32 112.181 -174.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.569 HD13 HD22 ' A' ' 32' ' ' LEU . 2.4 pp -71.89 -22.49 61.49 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.419 0.526 . . . . 64.31 112.419 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -76.39 -23.98 54.09 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.964 -0.562 . . . . 61.25 112.073 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.5 p -110.8 17.63 20.38 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.848 0.356 . . . . 44.5 111.029 176.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.82 121.2 33.22 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.373 0.606 . . . . 53.34 110.899 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -82.89 -52.51 6.65 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.563 -0.902 . . . . 74.35 108.563 171.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 30.5 ttp -113.17 143.19 44.8 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.319 -1.31 . . . . 74.33 108.301 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.3 144.94 50.95 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.353 -0.61 . . . . 63.4 109.353 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 86.0 mt-10 -113.03 153.17 28.53 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 116.329 -0.396 . . . . 73.1 110.102 174.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.513 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 13.9 tt -146.57 98.59 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-O 122.398 1.094 . . . . 73.24 110.496 170.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.1 t70 60.64 43.95 12.02 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 113.956 -1.474 . . . . 62.32 111.122 175.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.16 -23.45 34.59 Favored Glycine 0 C--N 1.334 0.464 0 CA-C-N 115.046 -0.979 . . . . 53.24 112.822 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 mp -87.96 126.78 35.25 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-O 120.98 0.419 . . . . 74.44 110.841 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -89.16 110.37 21.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.308 -0.405 . . . . 74.14 111.047 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.83 116.68 12.5 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.208 0.528 . . . . 75.13 109.886 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.4 p-90 -84.94 -24.71 28.26 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.301 -0.863 . . . . 75.45 110.564 -172.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -150.1 136.24 18.74 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 108.248 -1.019 . . . . 75.22 108.248 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -138.78 154.38 48.5 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.854 -0.612 . . . . 74.02 111.032 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -108.04 147.74 30.74 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.315 -0.857 . . . . 61.44 109.565 178.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.569 HD22 HD13 ' A' ' 14' ' ' LEU . 57.2 mt -123.5 138.02 54.66 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 114.908 -1.042 . . . . 62.54 108.528 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.513 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 37.5 t-20 -81.07 91.06 6.04 Favored 'General case' 0 C--O 1.224 -0.288 0 N-CA-C 108.405 -0.961 . . . . 55.01 108.405 176.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -74.13 -25.48 59.79 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 124.086 0.866 . . . . 74.41 111.27 -172.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.477 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 25.4 m-80 -67.17 -44.42 79.77 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 123.844 0.715 . . . . 74.3 111.173 173.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.3 tp -74.16 -25.01 59.49 Favored 'General case' 0 C--O 1.221 -0.422 0 O-C-N 123.82 0.7 . . . . 64.51 111.118 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 69.2 mt -83.24 -21.75 33.29 Favored 'General case' 0 C--O 1.223 -0.32 0 O-C-N 123.413 0.446 . . . . 62.41 111.564 176.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -70.71 -38.54 73.64 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 109.317 -0.623 . . . . 74.15 109.317 171.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 35' ' ' ASN . 63.6 mt-30 -74.98 -29.41 60.89 Favored 'General case' 0 C--O 1.225 -0.203 0 O-C-N 124.296 0.998 . . . . 73.51 111.042 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.6 77.79 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 122.714 0.406 . . . . 75.42 111.206 177.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 25.9 t70 -77.81 -29.72 50.86 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.431 -0.804 . . . . 74.42 110.844 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.82 -46.04 92.08 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.538 1.135 . . . . 43.1 110.156 173.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.78 -36.27 75.6 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 115.114 -0.948 . . . . 71.12 110.795 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.89 -23.38 62.27 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.186 0.439 . . . . 64.33 112.186 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 41' ' ' ASP . 49.2 mt-10 -74.44 -27.82 60.77 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 122.87 0.468 . . . . 55.21 111.123 171.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.24 3.73 54.1 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.05 0.54 . . . . 43.44 112.08 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 67.9 27.01 7.39 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 123.029 1.395 . . . . 65.32 111.035 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -109.67 123.59 36.01 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 115.454 -0.794 . . . . 74.02 109.49 -176.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.21 124.69 15.3 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.466 2.111 . . . . 64.24 111.945 172.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.408 ' HD2' ' CZ ' ' A' ' 74' ' ' TYR . 45.7 t80 -93.29 130.48 39.0 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.645 -0.707 . . . . 74.35 110.013 -176.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -132.43 130.31 40.42 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.659 -0.701 . . . . 73.01 110.379 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -146.48 148.16 31.95 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.276 -1.009 . . . . 45.14 108.276 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -107.9 12.5 27.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.594 0.235 . . . . 64.11 111.052 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.52 168.65 18.02 Favored 'General case' 0 N--CA 1.462 0.126 0 N-CA-C 109.151 -0.685 . . . . 44.04 109.151 174.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 8.9 p-90 -68.95 152.55 45.13 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 120.921 0.391 . . . . 73.41 110.672 -176.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 p -135.15 -24.8 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 CA-C-O 120.975 0.416 . . . . 73.33 111.36 176.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.8 tp -142.06 124.0 15.31 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.904 0.383 . . . . 53.43 110.929 -172.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.56 99.85 6.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.387 -0.824 . . . . 63.33 109.797 174.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -99.96 113.8 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.9 0.381 . . . . 72.25 110.934 -174.092 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -101.0 118.93 37.97 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.726 0.774 . . . . 74.33 109.827 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t -119.54 145.51 46.3 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 114.305 -1.316 . . . . 71.13 109.205 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.6 mt -103.79 116.01 31.51 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.89 -0.324 . . . . 34.02 110.748 -176.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.496 ' O ' ' HB ' ' A' ' 66' ' ' THR . 29.5 t70 -115.21 97.25 6.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.41 0.624 . . . . 53.21 109.444 175.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.22 -116.92 4.49 Favored Glycine 0 N--CA 1.441 -1.001 0 N-CA-C 110.398 -1.081 . . . . 53.14 110.398 -172.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -115.41 16.22 16.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.724 0.773 . . . . 74.53 109.103 169.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.496 ' HB ' ' O ' ' A' ' 63' ' ' ASP . 3.2 m -87.42 128.05 35.21 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.434 -1.257 . . . . 73.33 111.0 -178.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -94.16 100.3 12.41 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.887 -1.051 . . . . 73.41 108.533 172.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -108.84 116.13 31.41 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.95 -0.568 . . . . 72.12 109.481 -175.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 38.2 tt0 -119.08 133.2 55.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.048 0.451 . . . . 72.44 110.714 -177.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 23.3 m-90 -108.88 124.88 51.34 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.754 -0.657 . . . . 54.24 109.275 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -107.96 119.17 38.7 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.513 0.673 . . . . 74.43 109.699 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -108.79 148.85 29.92 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.168 -0.924 . . . . 74.41 111.105 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.4 m -75.05 156.93 35.61 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 114.928 -1.033 . . . . 73.34 109.73 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.408 ' CZ ' ' HD2' ' A' ' 50' ' ' PHE . 63.7 t80 -60.93 -37.5 82.53 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.851 0.86 . . . . 73.23 110.085 175.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -25.69 64.98 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 124.276 0.985 . . . . 52.24 112.102 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.07 -34.68 43.47 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 121.121 0.486 . . . . 73.2 110.975 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.9 t -76.55 -24.6 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-N 115.624 -0.717 . . . . 62.35 111.204 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mmt -75.24 -38.83 60.41 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.189 -0.46 . . . . 74.22 111.815 175.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -81.71 -3.67 54.29 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.528 0.566 . . . . 74.13 112.528 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.93 117.37 6.31 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.366 0.603 . . . . 41.33 111.934 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -84.92 131.85 47.72 Favored Pre-proline 0 N--CA 1.439 -1.008 0 CA-C-N 114.424 -1.262 . . . . 74.42 110.776 -173.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -64.87 131.92 30.71 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 121.804 1.669 . . . . 63.03 111.709 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -88.88 173.15 8.67 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.772 -0.649 . . . . 62.13 111.641 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.51 -7.92 56.99 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.434 -0.803 . . . . 61.02 111.531 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -74.86 -23.02 58.36 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 114.923 -1.035 . . . . 73.2 110.703 171.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.44 -13.69 39.22 Favored Glycine 0 C--N 1.342 0.908 0 N-CA-C 114.747 0.659 . . . . 64.44 114.747 175.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -123.06 -30.04 3.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.02 0.41 . . . . 65.23 110.853 -177.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.6 m -86.44 151.89 23.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 73.21 111.436 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.56 ' CD1' HD13 ' A' ' 10' ' ' LEU . 72.0 m95 -126.81 146.95 50.06 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.873 -0.603 . . . . 61.32 110.487 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -95.54 99.78 11.62 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.858 -0.61 . . . . 72.3 110.62 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.42 106.04 18.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.976 -1.011 . . . . 74.41 108.996 177.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.1 p -110.33 110.27 21.01 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.501 0.667 . . . . 62.12 112.058 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 81.5 p -102.27 -173.27 2.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.022 -0.99 . . . . 70.04 109.953 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.77 -10.65 83.41 Favored Glycine 0 C--N 1.338 0.653 0 C-N-CA 121.284 -0.484 . . . . 73.0 112.436 172.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -85.66 -45.58 11.56 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.357 0.663 . . . . 71.13 109.964 177.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.77 -113.88 0.54 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.624 -0.798 . . . . 74.24 113.22 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -147.1 139.64 24.83 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.935 0.494 . . . . 63.24 110.677 -171.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -137.63 140.1 40.7 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 108.886 -0.783 . . . . 75.13 108.886 -178.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.513 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 43.7 tt0 -101.66 98.66 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.981 0.42 . . . . 63.33 109.934 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.465 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 33.2 mt -94.47 111.59 23.34 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.896 -0.409 . . . . 74.11 109.896 -179.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -119.59 115.64 24.4 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.704 -0.48 . . . . 64.2 109.704 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 77.0 m -83.71 122.83 29.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.233 -0.894 . . . . 71.43 110.974 -177.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 74.1 mt . . . . . 0 C--N 1.315 -0.923 0 CA-C-N 114.968 -1.015 . . . . 71.32 111.358 -173.609 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 . . . . . 0 N--CA 1.445 -0.709 0 N-CA-C 109.78 -0.452 . . . . 74.02 109.78 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.534 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 92.7 m-85 -68.63 163.13 24.45 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 124.154 0.909 . . . . 72.11 109.138 171.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' A' ' 89' ' ' TRP . 62.0 tp -58.55 -25.8 62.87 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 123.788 0.68 . . . . 71.25 112.342 178.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.483 HD11 HD22 ' A' ' 37' ' ' LEU . 65.1 tp -59.15 -39.15 81.53 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.697 0.799 . . . . 71.12 112.669 173.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -82.52 -31.69 29.07 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.756 0.312 . . . . 72.2 110.695 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 36.6 mm-40 -69.09 -30.85 69.24 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.333 -0.849 . . . . 73.5 111.941 -176.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.427 HD13 HD22 ' A' ' 32' ' ' LEU . 3.1 pp -74.89 -22.82 58.41 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.728 0.27 . . . . 63.2 111.728 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -74.09 -33.58 63.68 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.058 -0.519 . . . . 74.41 111.739 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.9 p -97.82 -3.74 38.21 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.043 -0.526 . . . . 63.15 111.942 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.25 127.73 33.83 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 122.565 0.346 . . . . 71.54 111.69 -176.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.18 -57.67 3.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.629 -0.878 . . . . 71.25 108.629 169.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.427 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 63.0 mtm -110.58 154.09 24.23 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.064 -0.971 . . . . 71.25 109.086 176.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.2 tp -132.01 119.13 20.64 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.068 -0.716 . . . . 73.3 109.068 175.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 11.7 tt0 -105.04 152.31 22.9 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 114.792 -1.095 . . . . 74.24 110.371 -174.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.592 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 12.8 tt -132.69 107.47 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-O 122.168 0.985 . . . . 71.31 111.027 174.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.1 t70 54.69 56.79 6.34 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 125.021 1.329 . . . . 61.34 112.069 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.02 14.91 76.24 Favored Glycine 0 CA--C 1.527 0.784 0 CA-C-N 115.553 -0.749 . . . . 73.55 113.854 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 tt -132.44 105.71 7.43 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 107.437 -1.319 . . . . 75.34 107.437 -176.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 28.7 p-80 -82.12 133.53 35.28 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 111.837 0.31 . . . . 71.14 111.837 -170.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.55 145.48 26.2 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.667 -0.242 . . . . 72.21 110.373 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 44.3 p-90 -90.9 -25.03 20.02 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.03 0.443 . . . . 62.43 110.116 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -135.57 135.73 40.54 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.861 -0.609 . . . . 73.32 109.45 -177.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -144.02 146.37 32.84 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.085 -0.961 . . . . 74.31 109.229 172.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -126.84 147.25 50.05 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.468 -0.787 . . . . 53.44 109.293 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD22 HD13 ' A' ' 14' ' ' LEU . 35.8 mt -117.72 144.39 45.33 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.257 -0.883 . . . . 61.45 109.023 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.628 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 48.6 t-20 -79.52 86.96 5.14 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.377 -0.972 . . . . 45.24 108.377 175.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -28.8 62.05 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.796 -1.093 . . . . 70.43 112.489 -172.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -59.56 -43.59 93.52 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.768 0.827 . . . . 73.11 111.491 173.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 tp -79.26 -23.44 43.65 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 114.875 -1.057 . . . . 63.11 111.035 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 20.1 mt -78.92 -28.55 43.89 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 111.995 0.369 . . . . 75.01 111.995 -179.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -63.73 -41.01 98.12 Favored 'General case' 0 C--O 1.219 -0.551 0 O-C-N 123.531 0.519 . . . . 72.41 109.726 172.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -71.87 -31.22 66.24 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.651 1.219 . . . . 62.13 112.416 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.22 -43.01 83.09 Favored 'General case' 0 CA--C 1.513 -0.471 0 O-C-N 123.662 0.601 . . . . 63.05 111.233 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -78.89 -31.98 45.66 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 124.063 0.852 . . . . 75.23 111.181 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 tt -56.57 -44.24 80.8 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.57 1.148 . . . . 54.34 111.047 173.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.65 -39.58 51.8 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 115.575 -0.739 . . . . 73.13 111.307 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.33 -30.16 69.06 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.663 0.616 . . . . 74.25 112.663 -177.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.44 -23.29 53.93 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 122.432 0.293 . . . . 64.41 111.503 174.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.31 8.34 27.92 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.387 -0.37 . . . . 74.3 111.646 174.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.4 t70 67.96 23.23 8.31 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 125.116 1.366 . . . . 62.44 111.409 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -106.29 129.95 23.72 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.238 -0.892 . . . . 75.02 110.019 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -64.7 131.42 29.33 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.779 2.319 . . . . 62.25 112.545 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -112.89 120.29 40.92 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.692 -0.484 . . . . 74.2 109.692 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.59 132.35 37.03 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.727 -0.472 . . . . 72.13 109.727 172.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -140.94 141.36 34.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.404 -0.816 . . . . 74.1 109.418 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -95.13 12.58 28.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.937 0.347 . . . . 63.43 111.937 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -81.65 164.99 21.43 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.439 -0.949 . . . . 74.34 108.439 172.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 10.7 p-90 -66.21 154.3 40.18 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 120.711 0.291 . . . . 73.22 110.335 -178.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.9 p -135.06 -22.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.215 0.531 . . . . 75.32 110.519 170.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.65 130.1 43.5 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 116.186 -0.461 . . . . 74.33 109.925 -174.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.36 108.72 8.87 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.013 -0.736 . . . . 43.31 109.013 166.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.434 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -104.8 118.45 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.47 -0.332 . . . . 64.21 110.394 178.057 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -107.9 125.8 51.91 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.159 -0.682 . . . . 74.43 109.159 173.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -125.85 152.25 45.76 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 115.187 -0.915 . . . . 52.35 110.407 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -101.48 105.21 16.18 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.818 0.818 . . . . 61.42 111.622 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.41 ' O ' ' HB ' ' A' ' 66' ' ' THR . 31.4 t70 -100.99 93.19 5.37 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.796 -1.093 . . . . 72.15 108.368 173.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.04 -102.25 1.9 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.819 -0.912 . . . . 43.23 110.819 -171.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -114.5 -13.43 12.2 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.316 0.647 . . . . 74.41 109.751 172.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 63' ' ' ASP . 92.7 m -66.72 114.69 5.81 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.237 1.415 . . . . 61.24 112.15 -175.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -89.86 99.17 12.23 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.515 -0.92 . . . . 72.31 108.515 171.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -107.4 124.72 50.26 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.968 -0.382 . . . . 71.23 109.968 -174.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 21.7 tt0 -112.91 128.34 56.44 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.326 0.584 . . . . 64.14 110.9 -175.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.434 ' HB2' HG23 ' A' ' 59' ' ' VAL . 20.5 m-90 -110.53 126.31 54.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.206 -0.906 . . . . 71.41 109.295 173.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -108.37 133.83 52.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.119 0.485 . . . . 65.55 110.276 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -122.99 136.89 55.03 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 115.261 -0.881 . . . . 74.33 109.452 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 38.4 m -77.93 161.26 27.69 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.096 0.873 . . . . 72.11 110.094 175.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -61.62 -36.43 80.73 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 124.023 0.827 . . . . 71.44 110.583 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -67.76 -34.81 77.53 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.157 -0.928 . . . . 73.34 111.712 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.23 -36.42 71.84 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.679 0.612 . . . . 55.41 111.657 177.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.9 t -69.56 -27.41 33.8 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 123.91 0.884 . . . . 52.54 111.979 175.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.1 mmt -69.65 -41.45 75.55 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.898 -0.137 . . . . 53.32 111.143 174.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -92.1 9.36 33.77 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 113.162 0.801 . . . . 73.23 113.162 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.33 124.96 24.14 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.069 0.461 . . . . 63.21 110.459 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.402 ' HB3' ' HB3' ' A' ' 90' ' ' ARG . 16.7 tt0 -79.51 128.73 74.08 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 114.327 -1.306 . . . . 75.52 111.12 -167.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -75.8 112.39 3.5 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.865 1.71 . . . . 61.43 111.548 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -78.72 166.13 22.82 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.949 -0.76 . . . . 72.23 108.949 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.53 -12.96 61.9 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.036 0.754 . . . . 74.24 113.036 -174.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.41 -24.73 59.14 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.514 0.726 . . . . 62.51 110.873 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.73 -16.37 15.24 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 114.782 0.673 . . . . 71.21 114.782 175.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 24.8 mt-10 -112.46 -23.17 10.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.357 -0.608 . . . . 62.13 109.357 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.6 m -85.87 133.57 33.95 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.04 -0.982 . . . . 72.51 110.301 175.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.531 ' O ' ' HA ' ' A' ' 99' ' ' GLN . 94.2 m95 -120.5 156.02 32.39 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.866 -0.607 . . . . 74.24 110.038 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.402 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 66.2 ttt180 -111.31 107.86 17.28 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.657 -0.497 . . . . 64.41 109.657 178.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -96.73 97.25 9.18 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.656 -0.868 . . . . 74.34 108.656 174.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.0 m -97.54 103.73 15.69 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.188 -0.671 . . . . 75.14 109.188 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.1 p -105.5 -174.06 2.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.489 -1.232 . . . . 65.31 110.238 -173.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.87 -19.75 79.75 Favored Glycine 0 C--N 1.342 0.875 0 O-C-N 123.401 0.438 . . . . 65.3 112.691 173.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -83.71 -47.44 11.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 122.389 0.276 . . . . 72.21 110.576 175.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.16 -170.45 42.53 Favored Glycine 0 C--N 1.34 0.801 0 N-CA-C 112.179 -0.368 . . . . 74.32 112.179 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.97 121.6 42.46 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.219 0.533 . . . . 71.43 110.756 -175.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.46 ' HB3' HD11 ' A' ' 22' ' ' ILE . 91.9 m-85 -117.52 130.66 56.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.191 -0.913 . . . . 62.45 110.027 -175.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.592 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 26.5 tt0 -92.12 103.89 16.33 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 120.952 -0.299 . . . . 71.23 111.473 -175.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.1 mt -90.14 111.38 22.5 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.8 -0.76 . . . . 70.22 109.252 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 13.8 ttp180 -117.93 121.8 41.63 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.281 -0.872 . . . . 64.25 109.176 -176.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 64.0 m -86.98 118.93 26.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.123 0.487 . . . . 45.2 110.825 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.427 ' HB2' ' HB2' ' A' ' 19' ' ' MET . 1.0 OUTLIER . . . . . 0 CA--C 1.511 -0.552 0 N-CA-C 108.548 -0.908 . . . . 64.24 108.548 -175.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.444 ' HG2' ' OD2' ' A' ' 12' ' ' ASP . 32.3 mtt-85 . . . . . 0 CA--C 1.507 -0.704 0 CA-C-O 121.355 0.598 . . . . 55.21 110.42 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -72.26 170.76 13.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.88 -1.054 . . . . 64.13 108.482 172.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 59.8 tp -64.29 -23.61 67.36 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 117.993 0.36 . . . . 54.33 111.761 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.474 HD22 HD21 ' A' ' 37' ' ' LEU . 80.9 mt -68.68 -41.45 79.22 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 112.116 0.413 . . . . 74.54 112.116 172.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.444 ' OD2' ' HG2' ' A' ' 8' ' ' ARG . 22.9 t70 -69.88 -29.39 66.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.308 -0.405 . . . . 61.44 110.493 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.515 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 31.9 mm-40 -65.65 -54.01 33.5 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 123.835 0.854 . . . . 42.51 112.122 176.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 2.6 pp -69.72 -21.58 63.46 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.103 0.408 . . . . 64.3 112.103 -178.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -75.12 -31.14 61.04 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 112.955 0.724 . . . . 72.2 112.955 171.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.2 p -100.56 15.0 29.49 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 121.624 -0.672 . . . . 73.24 111.234 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.02 147.23 52.44 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.04 0.448 . . . . 71.32 111.998 -176.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -107.39 -35.25 6.83 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.026 -0.988 . . . . 65.14 109.959 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.442 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 40.8 mtm -97.23 149.99 21.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.449 -0.796 . . . . 61.12 109.692 176.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.3 tp -152.35 121.45 6.66 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.361 -0.607 . . . . 74.0 109.361 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 36.1 mt-10 -108.46 152.85 24.15 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.278 -0.638 . . . . 54.22 109.278 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 9.4 tt -141.8 107.29 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-O 121.635 0.731 . . . . 72.14 111.249 -176.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 t70 60.85 28.58 18.33 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-O 122.389 1.09 . . . . 61.13 111.229 177.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.1 -9.96 61.63 Favored Glycine 0 CA--C 1.526 0.756 0 O-C-N 121.518 -0.739 . . . . 61.33 113.654 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 mt -102.45 118.83 37.7 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 109.718 -0.475 . . . . 74.05 109.718 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -81.67 124.96 30.03 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.041 -0.664 . . . . 75.44 110.693 -176.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.5 120.36 16.02 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.304 -0.628 . . . . 74.42 109.304 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.0 p-90 -82.01 -24.08 35.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.744 -0.662 . . . . 74.1 109.421 -176.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -150.68 135.0 17.04 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 114.804 -1.089 . . . . 65.43 108.53 173.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -129.48 158.12 40.11 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.276 -0.874 . . . . 64.15 109.26 171.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -128.72 146.03 51.0 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.307 -0.627 . . . . 75.34 109.307 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.9 mt -119.48 145.76 46.02 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.704 -0.68 . . . . 74.44 110.463 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -83.54 93.05 7.75 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.638 -0.875 . . . . 71.43 108.638 175.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -75.45 -20.97 58.51 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.598 0.592 . . . . 62.23 112.598 -173.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -67.35 -51.22 54.95 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 123.659 0.599 . . . . 61.11 110.171 172.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.9 tp -75.66 -23.79 56.29 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.698 -0.683 . . . . 74.32 111.354 -175.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.474 HD21 HD22 ' A' ' 11' ' ' LEU . 43.1 mt -83.16 -19.61 36.28 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 112.091 0.404 . . . . 74.3 112.091 175.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.4 -46.84 59.22 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.023 -0.732 . . . . 72.22 109.023 171.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -72.74 -25.66 61.28 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.935 0.772 . . . . 62.12 111.562 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.78 -43.01 80.76 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 123.219 0.608 . . . . 41.51 111.053 175.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.4 -40.61 70.39 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.151 -0.931 . . . . 71.32 110.71 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.6 tt -55.59 -49.68 72.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.935 1.294 . . . . 65.24 111.058 177.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.05 -39.15 75.87 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.801 -0.636 . . . . 71.45 111.399 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.3 -38.75 92.37 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.321 0.388 . . . . 52.4 111.793 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -65.31 -32.39 74.02 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.546 0.738 . . . . 73.44 111.131 174.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.92 12.3 9.57 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.953 -0.567 . . . . 74.14 112.31 177.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t70 71.49 12.55 6.53 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 125.87 1.668 . . . . 72.45 112.128 174.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -103.45 124.94 36.39 Favored Pre-proline 0 C--N 1.316 -0.88 0 O-C-N 121.658 -0.651 . . . . 74.12 109.841 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -62.7 125.34 15.86 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 121.831 1.687 . . . . 71.44 110.89 169.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -87.44 131.03 34.46 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 108.758 -0.83 . . . . 72.12 108.758 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.33 118.86 20.91 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.481 -0.781 . . . . 74.42 110.091 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.0 m -142.2 143.48 32.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.442 -0.799 . . . . 63.31 109.365 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -102.86 15.44 29.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.743 -0.208 . . . . 75.05 111.356 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.33 170.08 17.03 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 108.773 -0.825 . . . . 74.54 108.773 172.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -72.69 154.15 40.85 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 109.429 -0.582 . . . . 74.5 109.429 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.7 p -135.55 -26.08 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 C-N-CA 120.347 -0.541 . . . . 71.15 111.651 174.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.7 tp -141.48 121.71 13.89 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.98 0.419 . . . . 70.41 110.968 -172.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.26 102.18 9.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.635 -0.711 . . . . 54.04 109.5 175.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.3 m -101.29 121.72 52.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.119 0.485 . . . . 62.02 110.176 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -112.6 124.32 52.28 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.242 -0.436 . . . . 64.22 109.874 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.0 t -122.18 142.11 50.75 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.385 -0.968 . . . . 64.33 108.385 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.8 mt -79.02 130.5 35.59 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.817 -0.753 . . . . 72.23 109.207 173.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -123.16 100.26 6.77 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.453 -0.943 . . . . 73.45 108.453 -175.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.36 -87.66 1.44 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.896 -0.882 . . . . 63.13 110.896 -171.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.5 ptt-85 -142.46 -0.62 1.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.206 0.602 . . . . 73.32 111.204 175.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 t -104.26 173.19 6.41 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 110.182 -0.303 . . . . 65.35 110.182 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.41 124.36 49.48 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.807 0.813 . . . . 75.54 110.28 176.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -114.04 116.34 29.02 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.548 -1.205 . . . . 70.4 108.254 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.448 ' OE2' ' HD2' ' A' ' 71' ' ' ARG . 34.6 tt0 -120.06 124.01 44.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.867 0.365 . . . . 61.1 111.452 -171.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 14.6 m-90 -108.82 129.06 55.39 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 115.53 -0.759 . . . . 73.15 109.135 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.448 ' HD2' ' OE2' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -112.22 122.73 48.55 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.964 -0.754 . . . . 75.1 108.964 177.178 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -103.48 130.64 50.89 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 114.799 -1.091 . . . . 70.34 109.412 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.0 m -68.15 152.63 45.19 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 114.671 -1.15 . . . . 71.34 109.014 172.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -56.92 -39.35 74.3 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.512 0.725 . . . . 72.51 110.684 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -65.36 -37.77 88.06 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.937 0.895 . . . . 71.32 111.952 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.94 -36.45 72.61 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.048 0.539 . . . . 63.51 111.443 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.412 HG13 HD23 ' A' ' 10' ' ' LEU . 25.5 t -67.28 -30.3 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 123.814 0.846 . . . . 65.35 112.103 175.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mmt -70.86 -42.13 70.5 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.419 0.288 . . . . 54.0 111.475 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -88.56 6.18 39.24 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.638 0.607 . . . . 74.11 112.638 -176.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.36 131.96 49.97 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.29 0.567 . . . . 74.3 111.453 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.468 ' HB3' ' HB3' ' A' ' 90' ' ' ARG . 16.0 tt0 -78.62 124.96 85.14 Favored Pre-proline 0 N--CA 1.441 -0.919 0 CA-C-N 114.115 -1.402 . . . . 72.24 110.703 -171.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -70.84 131.79 20.38 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 121.609 1.539 . . . . 65.3 110.846 173.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -98.8 170.46 8.75 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.211 -0.449 . . . . 70.31 110.114 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.44 -9.76 58.89 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.169 0.509 . . . . 62.54 111.742 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.65 -24.38 45.26 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.589 -0.732 . . . . 63.41 110.646 175.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.36 -18.4 4.44 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 115.502 0.961 . . . . 65.41 115.502 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 41.0 mt-10 -110.65 -27.74 8.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 118.134 0.967 . . . . 73.25 109.626 177.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.9 m -85.46 143.46 28.55 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.2 -0.909 . . . . 73.31 110.577 177.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.521 ' O ' ' HA ' ' A' ' 99' ' ' GLN . 82.3 m95 -131.76 150.14 52.25 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 115.605 -0.725 . . . . 73.23 110.197 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.468 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 53.6 ttt180 -108.26 99.39 8.81 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.104 0.478 . . . . 73.54 109.927 -176.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.404 HD21 ' CD2' ' A' ' 10' ' ' LEU . 3.7 mm? -91.65 100.6 13.3 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-N 115.264 -0.88 . . . . 53.32 109.986 178.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.8 m -101.62 110.07 21.99 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.953 0.882 . . . . 61.45 109.499 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 82.8 p -109.83 -172.05 1.96 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 113.541 -1.663 . . . . 74.02 110.295 -172.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.4 -5.35 89.85 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-N 116.359 -0.382 . . . . 64.52 112.472 171.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -92.01 -46.46 7.79 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.079 0.552 . . . . 75.51 109.991 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.15 -128.17 1.43 Allowed Glycine 0 C--O 1.22 -0.753 0 C-N-CA 121.244 -0.503 . . . . 75.41 112.931 -179.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -140.8 119.83 12.77 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 123.323 0.649 . . . . 72.31 109.41 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.454 ' HB3' ' CG1' ' A' ' 22' ' ' ILE . 69.0 m-85 -122.48 122.94 40.12 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 122.912 0.485 . . . . 71.13 110.176 -173.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' A' ' 89' ' ' TRP . 17.0 tt0 -94.45 108.2 20.14 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.384 -0.526 . . . . 61.43 111.532 -174.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.474 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 49.4 mt -92.44 109.76 21.16 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.383 -0.372 . . . . 75.22 111.068 -178.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 33.1 ttp180 -112.44 115.41 28.64 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.603 0.716 . . . . 74.12 109.981 178.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 14.7 m -90.58 125.25 35.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.239 -1.346 . . . . 52.24 111.161 -174.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 19' ' ' MET . 2.9 mt . . . . . 0 C--O 1.217 -0.616 0 N-CA-C 109.118 -0.697 . . . . 64.44 109.118 176.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 . . . . . 0 CA--C 1.502 -0.899 0 N-CA-C 108.949 -0.76 . . . . 63.31 108.949 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -99.85 166.19 11.2 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 113.853 -1.521 . . . . 74.11 108.678 175.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.8 tp -68.4 -32.36 72.35 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.222 -0.659 . . . . 74.21 109.222 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.464 HD11 HD22 ' A' ' 37' ' ' LEU . 63.5 tp -61.12 -35.71 77.77 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 124.548 1.155 . . . . 72.53 111.952 174.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -70.82 -41.1 71.99 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.118 0.567 . . . . 61.34 111.156 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -80.41 -31.52 37.62 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 113.822 1.045 . . . . 75.14 113.822 -170.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -69.59 -21.81 63.57 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.329 0.492 . . . . 75.23 112.329 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.97 -36.77 75.48 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.795 -0.639 . . . . 73.1 111.757 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.2 p -107.2 -11.03 15.69 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.53 0.937 . . . . 74.13 113.53 -172.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.03 163.25 27.33 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.309 0.576 . . . . 72.51 112.127 -176.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -119.24 -42.83 2.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.311 -0.859 . . . . 54.54 109.71 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.0 ttp -112.89 130.54 56.07 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.527 -0.76 . . . . 72.05 109.351 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.9 tp -131.47 117.3 18.63 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.141 -0.688 . . . . 75.35 109.141 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 25.8 mt-10 -98.06 154.83 17.45 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.566 -0.743 . . . . 60.31 110.535 -175.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.624 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 14.9 tt -134.11 107.74 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 CA-C-O 122.253 1.025 . . . . 72.23 110.569 176.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.432 ' HA ' ' HB3' ' A' ' 99' ' ' GLN . 21.7 t70 61.82 28.82 17.69 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 125.252 1.421 . . . . 72.31 111.064 -177.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.68 -10.02 66.48 Favored Glycine 0 C--N 1.335 0.525 0 CA-C-N 115.77 -0.65 . . . . 60.14 113.058 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -95.39 108.31 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.984 -1.117 . . . . 75.13 107.984 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 30.6 p-80 -75.15 144.0 42.99 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.042 0.214 . . . . 71.44 110.956 -175.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.19 140.14 34.86 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.012 -0.366 . . . . 63.11 110.012 175.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -80.44 -26.8 38.16 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.638 0.586 . . . . 74.35 110.153 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -141.14 134.78 30.12 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 114.718 -1.128 . . . . 75.04 108.558 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 22.1 p90 -129.75 138.19 50.96 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 108.237 -1.023 . . . . 75.42 108.237 170.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 8.6 mt-10 -116.84 145.36 43.61 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 114.993 -1.003 . . . . 53.03 110.201 -173.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.5 mt -115.93 148.7 39.77 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.211 -0.904 . . . . 73.41 109.24 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.455 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 45.8 t-20 -84.4 103.89 13.95 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.861 -1.163 . . . . 73.3 107.861 174.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -68.56 -43.46 76.54 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.619 1.199 . . . . 72.2 111.924 -167.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -71.78 -37.67 70.43 Favored 'General case' 0 C--O 1.225 -0.214 0 O-C-N 123.994 0.809 . . . . 72.32 111.75 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.5 tp -75.56 -25.38 57.05 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.584 0.552 . . . . 74.12 111.122 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.464 HD22 HD11 ' A' ' 11' ' ' LEU . 36.9 mt -83.07 -20.65 34.53 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 112.338 0.496 . . . . 73.44 112.338 178.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.37 -41.48 84.97 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.925 0.766 . . . . 65.34 109.357 170.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -74.14 -30.26 62.2 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 115.175 -0.92 . . . . 64.14 110.847 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.84 89.98 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 123.293 0.637 . . . . 63.43 111.865 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -79.05 -30.32 44.01 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 115.629 -0.714 . . . . 44.21 110.661 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.55 -48.68 80.72 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.339 1.056 . . . . 74.44 110.664 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.7 -37.31 70.68 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.958 0.786 . . . . 52.24 111.322 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.86 -35.94 82.73 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 123.461 0.476 . . . . 45.22 112.099 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -76.95 -13.3 59.99 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.111 0.564 . . . . 73.01 112.072 176.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.54 15.78 25.43 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.538 0.335 . . . . 70.53 110.904 173.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.0 t70 77.86 -4.59 2.22 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 126.001 1.72 . . . . 72.1 112.555 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -87.71 140.02 31.41 Favored Pre-proline 0 C--N 1.322 -0.608 0 O-C-N 121.376 -0.828 . . . . 63.22 111.121 -175.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -71.85 126.13 11.66 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 121.692 1.594 . . . . 74.32 110.105 164.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.421 ' HD2' ' CE2' ' A' ' 74' ' ' TYR . 50.3 t80 -80.72 136.11 36.11 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.514 -0.55 . . . . 73.24 109.514 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -125.43 124.85 42.34 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.79 -0.641 . . . . 75.32 110.098 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.9 t -147.62 140.65 25.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.17 0.509 . . . . 53.21 110.256 173.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -104.83 8.06 34.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.591 -0.731 . . . . 73.21 110.933 178.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.47 166.79 16.04 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.325 -0.991 . . . . 74.03 108.325 174.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 6.3 p-90 -67.53 153.15 44.36 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-O 121.022 0.439 . . . . 74.02 111.047 -175.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.92 -23.74 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-O 121.029 0.442 . . . . 62.21 111.363 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.501 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 0.9 OUTLIER -130.89 125.64 34.06 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 109.618 -0.512 . . . . 73.04 109.618 -169.873 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.444 ' O ' ' HA ' ' A' ' 30' ' ' PHE . . . -127.41 106.66 9.35 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 123.288 0.368 . . . . 72.14 110.695 174.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.26 106.1 19.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 109.557 -0.535 . . . . 73.13 109.557 176.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -101.69 132.31 47.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.452 -0.573 . . . . 73.23 109.452 176.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.1 t -137.75 134.76 35.67 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.019 -0.991 . . . . 71.32 109.882 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.49 ' HA ' ' O ' ' A' ' 66' ' ' THR . 9.1 mp -79.43 111.33 15.58 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.314 -0.624 . . . . 65.11 109.314 171.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -103.85 97.78 7.73 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.249 -1.019 . . . . 41.12 108.249 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.09 -89.96 1.39 Allowed Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.312 -1.115 . . . . 65.41 110.312 -168.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -133.68 -6.52 2.84 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 122.497 0.319 . . . . 72.04 111.419 175.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 15.0 t -95.28 145.1 25.32 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 121.081 0.467 . . . . 74.42 111.788 -173.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -90.09 101.16 13.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.337 0.589 . . . . 74.11 109.65 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -97.56 115.13 27.26 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.046 -0.979 . . . . 65.43 109.248 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -117.26 133.12 56.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.639 -0.71 . . . . 71.31 110.62 -176.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 20.7 m-90 -112.97 123.63 50.77 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.467 -0.938 . . . . 71.2 108.467 171.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.501 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 15.3 mtm180 -116.82 124.88 50.63 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-O 121.657 0.741 . . . . 72.14 111.071 176.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -110.35 150.02 29.39 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-N 114.15 -1.386 . . . . 74.24 110.428 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.8 p -78.11 164.76 24.72 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 124.196 0.935 . . . . 64.25 110.001 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.421 ' CE2' ' HD2' ' A' ' 50' ' ' PHE . 91.0 t80 -66.03 -39.94 90.61 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.923 0.764 . . . . 54.34 112.08 -175.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -76.68 -18.29 58.63 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 112.766 0.654 . . . . 73.14 112.766 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.38 -32.28 71.21 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 123.437 0.461 . . . . 72.14 110.607 170.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.0 t -76.39 -28.13 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 123.434 0.694 . . . . 71.32 110.804 172.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.4 mmt -67.15 -42.69 83.94 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 122.471 0.308 . . . . 73.3 111.37 175.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -90.48 7.69 37.6 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 123.563 0.54 . . . . 75.55 112.454 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.05 124.76 21.43 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 123.514 0.509 . . . . 70.12 111.01 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.435 ' OE1' ' HD3' ' A' ' 90' ' ' ARG . 36.2 mt-10 -92.5 122.13 64.97 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.044 -0.98 . . . . 71.13 110.686 -171.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -70.89 115.04 4.08 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 122.272 1.981 . . . . 53.22 111.667 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -74.88 172.75 11.68 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.491 -0.777 . . . . 75.05 110.529 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.08 -4.93 41.41 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.752 -0.658 . . . . 73.33 112.38 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -76.54 -23.98 53.62 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.961 0.504 . . . . 73.2 111.231 173.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.45 -15.13 36.78 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 115.054 0.781 . . . . 74.33 115.054 176.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -120.68 -10.25 9.22 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 117.874 0.837 . . . . 73.14 109.543 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.5 t -99.03 146.92 25.55 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.402 -0.817 . . . . 74.4 110.601 -174.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -131.57 142.09 49.83 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.578 -0.737 . . . . 71.42 110.462 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HD3' ' OE1' ' A' ' 81' ' ' GLU . 34.3 ttt180 -97.1 107.16 19.63 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.845 -0.798 . . . . 71.03 108.845 171.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.89 100.23 13.12 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.448 -0.945 . . . . 70.41 108.448 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 t -91.09 129.31 37.1 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.873 0.844 . . . . 72.11 109.697 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.4 p -129.72 178.97 6.11 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.224 -1.353 . . . . 35.01 109.031 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.76 -12.62 84.28 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.939 -0.648 . . . . 44.5 111.636 169.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -78.51 -45.76 21.19 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 123.27 0.628 . . . . 72.11 110.008 174.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.24 -113.14 0.52 Allowed Glycine 0 N--CA 1.447 -0.588 0 O-C-N 123.39 0.431 . . . . 63.35 112.17 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.4 136.77 17.66 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 123.694 0.798 . . . . 35.34 109.967 -173.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -139.72 122.97 16.98 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.722 -0.672 . . . . 71.22 109.804 -175.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.624 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 18.6 tt0 -83.69 103.53 13.07 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.705 -0.622 . . . . 74.34 111.36 -178.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 32.5 mt -92.17 111.0 22.39 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.12 -0.632 . . . . 74.51 109.51 176.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -114.7 115.64 27.41 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-O 121.072 0.463 . . . . 74.34 110.132 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 23.2 m -83.43 131.04 35.05 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 114.925 -1.034 . . . . 72.11 110.276 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.46 -0.791 . . . . 70.54 109.662 -178.739 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 113.892 1.071 . . . . 73.4 113.892 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.535 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 95.9 m-85 -77.77 150.36 34.35 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.661 -1.154 . . . . 73.12 108.191 177.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.498 HD13 ' CD1' ' A' ' 89' ' ' TRP . 55.9 tp -61.9 -27.77 69.05 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 117.798 0.272 . . . . 71.33 110.866 176.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.616 HD11 HD22 ' A' ' 37' ' ' LEU . 38.0 tp -65.74 -35.83 81.84 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 123.532 0.52 . . . . 75.53 111.808 172.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.58 -32.67 62.46 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.022 0.529 . . . . 64.03 110.782 176.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 52.5 mm-40 -68.07 -40.26 82.76 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.702 0.626 . . . . 72.15 112.292 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.501 HD13 HD22 ' A' ' 32' ' ' LEU . 3.5 pp -75.07 -22.06 58.58 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.642 0.589 . . . . 71.33 111.969 -175.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -71.3 -22.72 61.91 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.563 -0.744 . . . . 73.03 112.103 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.3 p -123.62 27.91 7.18 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.861 -0.609 . . . . 71.34 110.709 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.68 142.95 40.13 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.974 0.416 . . . . 73.03 111.857 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -99.12 -46.03 5.71 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 115.385 -0.825 . . . . 62.2 110.798 174.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.8 ttp -124.3 129.79 51.36 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.461 -0.57 . . . . 60.11 109.461 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.1 tp -114.15 125.13 53.6 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.274 -0.639 . . . . 73.11 109.274 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 10.3 tt0 -101.79 151.09 22.47 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.993 -1.003 . . . . 63.05 111.141 -172.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 23.9 mt -124.85 96.83 4.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 123.471 0.708 . . . . 64.45 109.814 169.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 t70 49.98 63.88 2.01 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.501 1.52 . . . . 64.41 113.009 174.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.01 -23.19 6.11 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 115.478 -0.783 . . . . 74.05 114.423 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 tt -105.21 107.57 18.63 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.06 -1.089 . . . . 74.12 108.06 -177.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 48.5 p-80 -78.96 143.37 35.82 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.697 -0.801 . . . . 72.11 110.762 -177.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.07 134.18 35.03 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.195 -1.039 . . . . 75.21 108.195 173.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.1 p-90 -73.17 -26.83 61.33 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.762 0.315 . . . . 74.42 110.758 -174.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -139.01 140.33 38.13 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.363 -0.606 . . . . 73.54 109.363 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -141.01 144.63 35.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.201 0.524 . . . . 73.13 109.621 173.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -127.38 139.54 52.78 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.744 -0.662 . . . . 74.12 110.095 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.501 HD22 HD13 ' A' ' 14' ' ' LEU . 48.5 mt -102.66 139.03 38.78 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.835 -1.075 . . . . 63.05 108.292 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.581 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 49.5 t-20 -79.46 89.71 5.04 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 108.172 -1.047 . . . . 65.32 108.172 172.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.78 -21.71 57.13 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 123.909 0.756 . . . . 75.12 111.985 -170.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -70.24 -40.44 74.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.99 0.806 . . . . 71.03 110.297 174.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.9 tp -76.5 -26.78 55.63 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.815 -0.63 . . . . 53.11 111.06 177.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.616 HD22 HD11 ' A' ' 11' ' ' LEU . 25.5 mt -84.07 -17.14 41.26 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.744 0.307 . . . . 75.34 111.664 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.83 -34.46 71.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.494 -0.776 . . . . 72.55 109.316 171.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -83.75 -28.69 28.02 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 114.761 -1.109 . . . . 65.53 111.133 177.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.1 81.81 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.03 0.443 . . . . 74.11 110.825 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -77.09 -35.02 56.82 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 114.889 -1.05 . . . . 72.32 110.336 177.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.8 -45.16 93.19 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.083 0.953 . . . . 74.21 110.703 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.06 93.13 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.455 -0.793 . . . . 61.14 111.278 178.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.61 68.18 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.466 0.543 . . . . 72.53 112.466 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -70.47 -32.22 69.67 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.152 0.581 . . . . 74.44 110.835 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.19 8.7 31.69 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.858 -0.61 . . . . 45.32 112.375 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t70 68.38 24.93 7.1 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.664 1.186 . . . . 53.33 111.378 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -107.62 137.93 19.84 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.539 -0.755 . . . . 74.44 109.985 -177.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.27 124.62 7.93 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.112 1.875 . . . . 52.25 111.444 173.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -94.89 134.8 37.14 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.704 -0.48 . . . . 74.31 109.704 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.72 131.16 18.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.462 -0.79 . . . . 61.01 109.31 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 71.1 m -145.89 132.73 20.1 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 121.11 0.481 . . . . 52.2 111.311 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -82.08 -1.46 48.63 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.871 -0.604 . . . . 73.21 111.947 175.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.78 163.86 27.4 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 109.597 -0.52 . . . . 73.34 109.597 171.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.3 p-90 -72.27 151.89 42.51 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.742 0.417 . . . . 74.13 110.834 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.408 ' CG2' HD21 ' A' ' 37' ' ' LEU . 10.6 p -131.13 -26.35 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.02 0.438 . . . . 64.33 110.91 172.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.71 129.42 47.09 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.346 -0.388 . . . . 73.51 110.878 -175.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -129.3 100.85 5.74 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.828 0.823 . . . . 75.11 109.547 171.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.51 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -103.12 126.93 57.37 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 114.108 -1.405 . . . . 65.51 108.721 -179.619 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -121.99 144.5 48.85 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.297 0.57 . . . . 71.02 110.912 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 t -140.72 119.54 12.57 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.076 -0.965 . . . . 64.41 109.611 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 66' ' ' THR . 6.3 mp -89.09 106.49 18.47 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.963 -0.695 . . . . 75.35 109.595 174.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -105.07 107.6 18.67 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.992 -1.114 . . . . 72.02 107.992 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.94 -93.82 1.19 Allowed Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.17 -1.172 . . . . 72.43 110.17 -169.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -130.83 -16.02 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 122.792 0.437 . . . . 74.51 110.971 173.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 6.1 t -77.28 135.41 38.42 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.409 0.623 . . . . 74.35 110.944 -173.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 63.2 ttt-85 -95.81 105.66 17.7 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.906 -0.588 . . . . 74.14 109.518 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.96 112.73 24.79 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.695 -0.684 . . . . 73.25 109.16 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -113.43 126.06 54.92 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.092 0.472 . . . . 60.13 109.746 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.51 ' HB2' HG23 ' A' ' 59' ' ' VAL . 8.9 m-90 -108.18 123.22 48.41 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.063 -0.971 . . . . 62.12 108.504 172.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -111.45 117.33 32.74 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.903 -0.777 . . . . 65.54 108.903 174.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -104.27 138.94 39.98 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.925 -1.034 . . . . 65.42 109.725 -177.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.4 m -72.95 156.81 38.47 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.937 0.773 . . . . 75.52 110.307 176.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -64.85 -36.22 83.64 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.128 -0.487 . . . . 64.02 110.573 175.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -66.82 -30.51 70.72 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.034 -0.985 . . . . 72.44 110.825 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.56 -24.39 53.57 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 123.684 0.615 . . . . 73.12 111.815 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.5 t -82.18 -25.88 9.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.236 0.614 . . . . 50.2 110.877 175.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.8 mmt -71.85 -33.76 68.71 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.124 -0.489 . . . . 71.23 111.499 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -91.84 4.17 53.48 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.519 0.563 . . . . 64.54 112.519 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.48 115.37 4.18 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.949 0.404 . . . . 61.12 111.915 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -85.23 123.85 72.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 114.869 -1.06 . . . . 72.21 111.61 -168.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -63.37 117.0 3.96 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 123.08 2.52 . . . . 70.45 113.34 175.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -75.94 170.4 16.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.981 -0.554 . . . . 72.32 109.771 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.01 -7.13 53.94 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.815 -0.63 . . . . 55.25 111.364 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -74.95 -25.7 59.07 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.127 -0.942 . . . . 61.43 110.402 171.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.58 -19.14 5.1 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 115.339 0.895 . . . . 73.04 115.339 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -112.53 -16.25 12.9 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 118.118 0.959 . . . . 74.21 110.598 177.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.4 m -96.17 143.31 27.4 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.566 -0.743 . . . . 73.43 110.451 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.498 ' CD1' HD13 ' A' ' 10' ' ' LEU . 62.1 m95 -129.89 130.43 45.17 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 115.03 -0.986 . . . . 71.4 109.642 -174.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -84.09 104.9 14.53 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.135 -0.691 . . . . 70.4 109.135 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.42 99.18 11.98 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 108.236 -1.024 . . . . 62.42 108.236 178.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.6 p -83.42 133.34 34.93 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-O 121.362 0.601 . . . . 54.21 110.257 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.3 p -131.67 -178.72 4.99 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.73 -1.123 . . . . 71.35 109.491 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.3 -13.65 82.63 Favored Glycine 0 C--O 1.222 -0.61 0 N-CA-C 111.878 -0.489 . . . . 73.11 111.878 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -85.98 -41.66 14.69 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 122.881 0.473 . . . . 71.51 110.944 175.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 171.18 -116.01 0.61 Allowed Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.929 -0.653 . . . . 61.01 112.825 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -155.48 121.65 5.16 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 122.939 0.496 . . . . 70.03 111.003 -176.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -109.34 164.36 12.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.57 -0.741 . . . . 73.01 110.579 -176.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.523 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 24.8 tt0 -111.05 104.2 12.74 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.054 -0.521 . . . . 71.53 109.722 173.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 32.8 mt -92.86 116.78 29.35 Favored 'General case' 0 C--O 1.21 -1.026 0 N-CA-C 109.105 -0.702 . . . . 72.51 109.105 175.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -121.2 121.89 38.77 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 121.521 0.677 . . . . 65.03 110.651 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 3.3 p -83.72 116.13 22.52 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.233 -1.349 . . . . 72.42 111.467 -176.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.3 mt . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.059 -0.973 . . . . 71.12 110.277 -176.245 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 . . . . . 0 CA--C 1.499 -1.011 0 CA-C-O 121.911 0.862 . . . . 72.11 109.067 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -97.29 -177.92 4.0 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.102 -1.408 . . . . 54.13 107.203 169.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.52 HD13 ' CD1' ' A' ' 89' ' ' TRP . 42.8 tp -66.83 -26.91 67.15 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.383 -0.527 . . . . 74.01 110.153 173.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.0 tp -56.65 -47.52 79.59 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 123.906 0.754 . . . . 73.11 111.783 172.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.81 -29.59 69.57 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.802 0.441 . . . . 74.05 111.574 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.502 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 9.8 mm-40 -88.11 -29.1 20.85 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.947 0.721 . . . . 71.01 112.947 -174.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 3.3 pp -77.2 -20.47 55.31 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.316 0.507 . . . . 73.25 111.177 174.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -66.28 -21.32 66.27 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 123.579 0.752 . . . . 73.33 112.621 172.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.6 p -124.86 4.49 8.08 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 112.599 0.592 . . . . 74.33 112.599 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.23 104.47 2.65 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.187 0.449 . . . . 71.02 111.347 -177.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -73.26 -44.75 58.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.744 0.783 . . . . 51.33 109.067 175.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 28.2 ttp -120.6 141.65 50.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.292 -1.322 . . . . 63.42 108.178 170.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.9 tp -125.19 138.82 54.13 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.789 -0.819 . . . . 65.01 108.789 176.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 10.2 tt0 -120.6 148.04 44.41 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.864 -0.791 . . . . 75.41 108.864 -176.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.487 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 17.5 tt -136.05 109.92 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-O 122.086 0.946 . . . . 74.02 111.264 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 60.69 40.28 16.54 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 125.018 1.327 . . . . 74.54 111.52 176.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.01 3.13 88.0 Favored Glycine 0 CA--C 1.526 0.781 0 CA-C-N 115.934 -0.575 . . . . 63.23 113.75 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 tt -121.82 115.21 22.22 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.798 -1.186 . . . . 74.52 107.798 -176.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -70.95 146.57 49.4 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 120.942 -0.303 . . . . 70.0 111.044 -176.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.77 155.06 29.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 72.32 109.857 174.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -97.32 -29.95 13.24 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.66 -0.867 . . . . 75.15 108.66 173.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -149.65 159.01 44.68 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.091 -0.707 . . . . 74.42 109.091 169.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -148.28 149.53 32.02 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.282 -0.636 . . . . 62.04 109.282 169.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -124.58 140.47 52.91 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.866 -0.606 . . . . 72.01 110.506 -175.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.44 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 88.4 mt -106.28 152.29 23.71 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.72 -0.474 . . . . 65.12 109.72 174.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.444 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.9 t-20 -77.89 94.33 4.54 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 106.981 -1.488 . . . . 73.22 106.981 170.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.96 -42.57 84.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.142 -1.39 . . . . 74.4 111.405 -169.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -61.66 -39.22 90.61 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 124.79 1.306 . . . . 62.03 112.229 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.1 tp -72.54 -25.27 61.31 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 122.493 0.317 . . . . 70.54 111.289 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 73.8 mt -84.02 -20.84 32.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.368 -0.378 . . . . 64.51 111.584 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -69.4 -36.72 77.01 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 109.785 -0.45 . . . . 23.41 109.785 167.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -77.72 -27.87 50.73 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.736 0.647 . . . . 73.34 111.738 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.1 -39.55 68.84 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 122.976 0.51 . . . . 60.4 111.295 177.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -74.22 -33.89 63.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.32 -0.854 . . . . 54.54 110.708 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.05 -43.27 96.03 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.005 0.922 . . . . 61.15 110.847 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.85 -39.88 87.74 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.502 -0.772 . . . . 72.41 110.971 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.38 -32.87 74.53 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 123.415 0.447 . . . . 65.05 112.011 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.35 -24.33 62.07 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.079 0.552 . . . . 74.25 111.967 173.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.41 9.99 36.16 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.111 0.411 . . . . 72.0 112.111 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 64.18 37.09 9.08 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 125.126 1.37 . . . . 72.13 111.066 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -117.06 135.28 23.03 Favored Pre-proline 0 C--N 1.312 -1.027 0 CA-C-N 114.956 -1.02 . . . . 73.35 109.233 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -75.13 124.22 8.38 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.4 1.4 . . . . 42.1 110.291 168.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -87.79 130.41 34.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 109.48 -0.563 . . . . 73.24 109.48 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.37 122.67 21.74 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.589 -0.732 . . . . 64.14 109.521 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -137.35 140.6 41.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.337 -0.392 . . . . 55.41 110.052 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -94.97 9.58 38.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.784 0.326 . . . . 71.3 110.913 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -78.18 162.4 26.63 Favored 'General case' 0 C--N 1.343 0.283 0 N-CA-C 108.778 -0.823 . . . . 74.34 108.778 174.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -65.38 151.66 45.75 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 123.599 0.562 . . . . 71.3 109.63 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 32' ' ' LEU . 8.2 p -135.28 -18.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 O-C-N 122.25 -0.281 . . . . 72.11 111.039 175.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.6 tp -150.85 113.86 4.78 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 121.568 0.699 . . . . 75.51 111.697 -172.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.4 106.03 16.37 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 114.596 -1.183 . . . . 70.31 108.742 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.1 t -99.09 109.4 24.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.383 -0.969 . . . . 74.24 108.383 -174.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -111.09 126.27 54.65 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.979 0.895 . . . . 63.32 110.985 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.9 m -130.94 159.27 37.94 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.698 -1.137 . . . . 75.45 109.141 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.5 mt -112.2 106.28 14.83 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.439 -0.578 . . . . 74.5 109.439 173.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -95.54 94.4 7.75 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 122.261 1.029 . . . . 75.41 110.23 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.75 -96.14 2.17 Favored Glycine 0 N--CA 1.434 -1.489 0 N-CA-C 108.687 -1.765 . . . . 72.31 108.687 -177.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 25.15 2.11 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 122.226 1.013 . . . . 73.04 108.366 166.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -95.85 127.59 42.0 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 114.025 -1.443 . . . . 71.53 109.31 176.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -91.19 108.5 19.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.313 -0.625 . . . . 71.55 109.313 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -117.71 120.53 38.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.965 -1.016 . . . . 71.15 110.258 -172.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -125.71 129.21 49.08 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 120.98 0.419 . . . . 72.3 110.172 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 17.9 m-90 -107.38 122.21 46.13 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.326 -0.852 . . . . 73.42 109.118 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -102.05 120.59 40.68 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.375 0.607 . . . . 72.41 110.018 175.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -108.41 142.91 38.06 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.624 -1.171 . . . . 74.52 109.38 178.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 98.4 p -85.29 166.73 16.24 Favored 'General case' 0 N--CA 1.443 -0.819 0 O-C-N 123.964 0.79 . . . . 71.43 109.714 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -64.1 -36.19 83.23 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.724 -0.671 . . . . 73.24 110.298 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.45 -35.92 81.48 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 112.042 0.386 . . . . 74.14 112.042 177.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.9 -35.78 74.9 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 123.577 0.548 . . . . 63.1 112.428 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.6 m -78.01 -18.7 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 112.174 0.435 . . . . 74.32 112.174 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.9 mmt -76.88 -37.0 56.33 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 122.527 0.331 . . . . 63.21 111.115 173.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -100.84 1.94 40.57 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.486 0.55 . . . . 63.33 112.486 -178.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.25 125.68 23.83 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 123.043 0.537 . . . . 74.42 110.883 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 90' ' ' ARG . 30.0 mt-10 -75.61 120.78 83.21 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.594 1.184 . . . . 73.04 111.352 -162.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -62.7 117.64 4.53 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.615 2.21 . . . . 72.25 111.41 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -89.0 162.56 15.98 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.787 -0.642 . . . . 73.44 109.323 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.89 -6.69 48.76 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.605 0.594 . . . . 72.34 112.605 -176.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.8 -24.2 61.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.482 0.713 . . . . 71.34 110.879 175.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.27 -14.97 31.12 Favored Glycine 0 C--N 1.346 1.095 0 N-CA-C 114.308 0.483 . . . . 63.22 114.308 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -120.68 -14.42 8.59 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.663 -0.495 . . . . 75.42 109.663 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 63.6 m -98.14 148.38 23.62 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.713 -0.676 . . . . 73.15 111.689 -177.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.52 ' CD1' HD13 ' A' ' 10' ' ' LEU . 54.0 m95 -135.34 146.71 48.68 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 114.718 -1.128 . . . . 73.1 108.279 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.402 ' HB3' ' HB2' ' A' ' 81' ' ' GLU . 45.5 ttp180 -109.76 113.03 25.44 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 120.065 -0.654 . . . . 52.21 110.44 179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.438 HD21 ' CD2' ' A' ' 10' ' ' LEU . 4.5 mm? -91.72 97.97 11.34 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 114.75 -1.114 . . . . 62.04 108.229 176.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.1 m -98.76 109.89 22.58 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.267 -1.012 . . . . 74.44 108.267 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.3 p -112.77 -171.63 1.9 Allowed 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 113.542 -1.663 . . . . 72.21 109.081 -173.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.45 -13.26 83.73 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.891 -0.671 . . . . 52.5 112.245 174.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -99.83 -2.1 35.84 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.571 0.349 . . . . 63.23 111.894 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.73 -131.56 4.52 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 120.773 -0.727 . . . . 45.53 113.196 173.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.69 114.67 4.7 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.587 0.755 . . . . 75.23 109.492 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -118.69 118.11 30.75 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.292 0.637 . . . . 63.54 110.075 -172.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.487 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 24.7 tt0 -86.54 105.34 16.76 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-O 121.022 0.439 . . . . 74.12 111.797 -175.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.405 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 24.9 mt -91.37 111.2 22.59 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.423 0.63 . . . . 64.44 110.644 178.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -112.38 121.98 46.41 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 114.941 -1.027 . . . . 60.3 110.003 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 9.4 p -82.56 131.94 35.2 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.557 -0.747 . . . . 63.44 109.763 177.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.8 mt . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.261 -0.881 . . . . 74.31 109.441 -176.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.1 mtt85 . . . . . 0 CA--C 1.51 -0.589 0 CA-C-O 122.344 1.069 . . . . 72.35 110.839 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -98.1 169.06 9.87 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.167 -1.379 . . . . 73.13 108.038 173.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.527 HD13 ' CD1' ' A' ' 89' ' ' TRP . 51.1 tp -69.75 -29.08 66.35 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.529 -0.545 . . . . 65.43 109.529 169.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.1 tp -57.65 -44.5 85.69 Favored 'General case' 0 C--O 1.221 -0.423 0 O-C-N 123.894 0.746 . . . . 73.53 111.44 171.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -66.99 -36.32 81.9 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.038 -0.528 . . . . 62.14 111.255 177.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.08 -41.9 60.99 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 113.649 0.981 . . . . 73.12 113.649 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.428 HD13 HD22 ' A' ' 32' ' ' LEU . 2.9 pp -68.7 -21.52 64.41 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 112.705 0.632 . . . . 71.05 112.705 -175.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.59 -43.03 93.83 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.947 0.899 . . . . 71.11 112.439 177.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 p -107.08 -19.96 13.45 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 112.769 0.655 . . . . 74.14 112.769 -175.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.15 133.26 54.87 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.394 0.678 . . . . 74.23 112.454 -176.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -91.12 -54.35 3.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.725 0.774 . . . . 62.31 109.954 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.4 ttp -108.86 137.4 46.85 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.726 -1.124 . . . . 74.13 109.272 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mt -122.6 143.02 50.02 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.803 -0.443 . . . . 60.5 109.803 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 74.9 mt-10 -109.09 154.8 21.76 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.659 -0.867 . . . . 74.5 108.659 172.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 12.0 tt -144.85 95.15 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-O 122.103 0.954 . . . . 73.12 112.183 173.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.485 ' HB2' ' H ' ' A' ' 99' ' ' GLN . 38.9 t70 52.03 59.2 4.71 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 113.989 -1.46 . . . . 65.31 111.641 178.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.65 -24.74 11.2 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-N 114.866 -1.061 . . . . 72.22 114.126 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.73 155.97 26.48 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 117.366 0.583 . . . . 52.43 110.18 176.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -119.73 112.74 19.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.4 -0.364 . . . . 75.13 110.88 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.65 115.3 19.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.634 -0.506 . . . . 74.24 109.634 174.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -77.9 -25.14 48.3 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.308 -0.86 . . . . 75.0 109.341 -178.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -149.53 167.54 25.99 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.693 -1.14 . . . . 63.15 108.411 176.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -158.04 151.36 23.25 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 123.706 0.628 . . . . 64.02 109.989 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -111.57 134.46 53.13 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.185 -0.672 . . . . 70.12 109.185 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.428 HD22 HD13 ' A' ' 14' ' ' LEU . 96.5 mt -104.36 150.86 24.12 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.285 -0.87 . . . . 52.54 110.675 176.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.582 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 51.0 t-20 -84.33 81.92 8.61 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.568 -1.271 . . . . 62.24 107.568 169.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -77.8 -17.95 56.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.283 -0.871 . . . . 73.31 112.238 -169.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -65.34 -44.8 86.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.137 -0.938 . . . . 71.51 109.769 170.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.2 tp -76.87 -25.18 52.8 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.327 -0.851 . . . . 71.02 111.462 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 69.1 mt -78.83 -28.62 44.44 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.252 0.464 . . . . 54.44 112.252 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.74 -43.07 99.77 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.782 0.676 . . . . 74.23 110.153 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -72.51 -27.6 62.36 Favored 'General case' 0 C--O 1.225 -0.235 0 O-C-N 124.286 0.991 . . . . 73.44 111.522 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.22 -46.11 78.37 Favored 'General case' 0 CA--C 1.518 -0.28 0 O-C-N 123.732 0.645 . . . . 60.33 111.496 178.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.15 -26.59 39.31 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.366 -0.833 . . . . 61.22 110.664 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.0 -50.51 73.1 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.308 1.043 . . . . 74.01 110.247 173.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.28 -35.87 78.52 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.567 -0.742 . . . . 44.41 111.29 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.66 75.25 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.534 0.568 . . . . 51.21 112.534 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.39 -32.13 71.98 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.041 -0.527 . . . . 75.24 111.299 171.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.62 7.65 16.71 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.394 0.678 . . . . 72.53 112.791 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.2 t70 70.37 23.22 5.04 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.103 1.361 . . . . 75.41 111.606 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -113.79 129.53 24.64 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.789 -0.641 . . . . 73.32 109.599 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -64.7 125.62 15.21 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.303 2.002 . . . . 73.44 111.613 173.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -93.93 125.97 38.87 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.884 -0.784 . . . . 74.24 108.884 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.404 ' HB1' HD21 ' A' ' 75' ' ' ASN . . . -140.24 119.19 12.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.692 -0.686 . . . . 75.51 109.814 176.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 74' ' ' TYR . 42.2 t -128.32 147.86 50.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.466 -0.788 . . . . 71.1 109.69 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -95.35 -4.0 46.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.234 -0.439 . . . . 63.43 111.089 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -74.28 164.49 26.54 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.55 -0.537 . . . . 73.03 109.55 176.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -67.29 159.95 28.16 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 123.231 0.332 . . . . 72.03 110.686 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.7 p -137.86 -31.01 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.854 0.359 . . . . 61.02 111.899 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.4 tp -140.67 124.21 16.93 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.11 0.481 . . . . 75.02 111.029 -172.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.1 107.41 13.01 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.187 -0.915 . . . . 65.43 108.871 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -100.1 126.57 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 120.923 0.392 . . . . 73.11 110.365 -176.546 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -110.41 115.77 30.25 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.601 0.715 . . . . 62.2 110.814 -177.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.7 m -122.62 134.02 54.52 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.651 -1.159 . . . . 54.51 108.671 173.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.5 mt -75.72 107.07 7.63 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.895 -0.779 . . . . 64.43 108.895 173.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -108.96 104.75 14.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.342 -0.844 . . . . 71.25 108.865 -179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.59 -115.13 3.96 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.276 -1.129 . . . . 75.41 110.276 -169.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -118.53 5.29 11.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.663 0.744 . . . . 73.3 109.313 170.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -92.63 141.79 28.09 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.556 -1.202 . . . . 41.4 110.523 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.546 ' HD2' ' H ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -91.39 98.95 12.01 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 122.3 1.047 . . . . 74.45 108.532 170.365 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -96.03 121.95 38.34 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.691 -1.141 . . . . 75.11 109.557 -171.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 30.1 tt0 -115.24 133.14 56.31 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.245 -0.889 . . . . 73.12 110.263 -176.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 19.8 m-90 -110.45 125.27 53.1 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.163 -0.68 . . . . 71.22 109.163 174.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -104.3 124.3 48.93 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.017 -0.992 . . . . 73.33 109.511 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -111.27 137.66 48.72 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.119 -0.946 . . . . 63.11 110.206 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.2 m -74.92 159.12 32.24 Favored 'General case' 0 N--CA 1.444 -0.743 0 O-C-N 124.199 0.937 . . . . 71.24 109.411 173.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.448 ' HB3' ' O ' ' A' ' 52' ' ' SER . 51.1 t80 -65.47 -37.67 87.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.231 -0.44 . . . . 72.3 111.192 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.404 HD21 ' HB1' ' A' ' 51' ' ' ALA . 1.9 m-80 -74.01 -20.55 60.29 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.482 0.549 . . . . 62.12 112.482 176.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.96 -35.51 62.11 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.277 0.56 . . . . 73.11 110.784 173.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.8 t -74.7 -24.24 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 CA-C-N 115.926 -0.579 . . . . 72.14 111.195 175.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.8 mmt -71.11 -37.43 72.35 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.489 0.551 . . . . 54.14 112.489 173.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -88.81 6.49 38.72 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.181 0.437 . . . . 51.01 112.181 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.429 ' HB2' HD22 ' A' ' 91' ' ' LEU . . . -61.65 116.81 5.07 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.726 0.298 . . . . 74.43 111.61 176.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -80.21 125.05 82.26 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.303 -0.862 . . . . 60.34 111.512 -175.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -67.14 125.48 13.63 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 121.715 1.61 . . . . 73.14 110.61 171.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -82.24 176.47 9.44 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.661 -0.496 . . . . 62.34 109.661 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.25 -22.32 61.99 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.526 0.565 . . . . 62.44 112.526 -175.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -80.61 -21.05 41.91 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.662 -0.244 . . . . 50.13 111.515 174.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.84 -13.67 55.52 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 115.144 0.818 . . . . 73.42 115.144 173.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -99.03 -30.71 12.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.373 0.587 . . . . 73.4 110.112 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.0 m -88.55 143.35 27.02 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.652 -0.704 . . . . 53.13 110.529 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.527 ' CD1' HD13 ' A' ' 10' ' ' LEU . 60.4 m95 -125.78 129.79 50.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.447 -0.797 . . . . 74.13 109.048 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -88.12 103.69 15.98 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.398 -0.593 . . . . 74.32 109.398 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.429 HD22 ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -90.71 100.3 13.17 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 114.932 -1.031 . . . . 72.22 108.339 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.8 p -91.12 128.0 36.77 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.068 -0.969 . . . . 74.43 108.978 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 37.8 p -128.34 -173.82 3.05 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.379 -0.828 . . . . 63.32 110.79 -171.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.5 -19.17 76.71 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.592 -0.603 . . . . 43.0 111.592 169.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -77.81 -41.3 37.64 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.073 0.549 . . . . 70.11 111.621 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.32 -117.08 0.75 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.204 -0.522 . . . . 35.5 112.182 -176.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -143.92 133.79 23.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.343 0.592 . . . . 72.41 110.64 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.435 ' HB3' ' CG1' ' A' ' 22' ' ' ILE . 86.6 m-85 -131.42 128.97 40.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.053 -0.976 . . . . 62.22 108.939 -177.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.485 ' H ' ' HB2' ' A' ' 23' ' ' ASP . 22.5 tt0 -95.91 101.79 13.51 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.321 -0.552 . . . . 74.25 110.189 -176.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.539 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 41.6 mt -92.49 109.84 21.24 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.058 -0.519 . . . . 75.42 109.809 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -112.75 118.08 34.0 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.475 0.655 . . . . 74.21 110.147 177.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.6 p -83.13 124.45 30.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.391 -1.277 . . . . 64.04 111.243 -177.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 75.0 mt . . . . . 0 C--N 1.318 -0.765 0 CA-C-N 115.12 -0.945 . . . . 64.31 109.577 -176.198 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 114.473 1.286 . . . . 72.22 114.473 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -86.09 171.93 10.98 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.006 -1.452 . . . . 74.3 107.412 174.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.44 HD13 ' CD1' ' A' ' 89' ' ' TRP . 62.9 tp -68.97 -28.37 66.56 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.337 0.971 . . . . 55.14 110.002 170.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.1 tp -63.59 -41.86 98.32 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.232 -0.895 . . . . 72.43 111.348 172.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.18 -29.46 60.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.67 -0.696 . . . . 71.32 110.992 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.476 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 3.0 mm-40 -68.86 -41.73 78.03 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 115.559 -0.746 . . . . 74.34 112.695 178.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.471 HD13 HD22 ' A' ' 32' ' ' LEU . 3.5 pp -72.66 -23.93 60.97 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.059 0.391 . . . . 61.43 111.683 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -66.98 -27.87 67.8 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.992 0.807 . . . . 72.03 111.955 172.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.6 p -122.67 28.7 7.19 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 116.441 -0.345 . . . . 71.11 110.988 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -104.43 148.14 26.76 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.751 -0.593 . . . . 74.41 110.988 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -110.47 -42.64 4.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.283 0.563 . . . . 61.12 110.366 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.9 ttp -124.77 129.34 50.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.102 -0.703 . . . . 63.11 109.102 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -115.11 128.38 56.18 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.313 -0.255 . . . . 75.14 110.313 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -104.64 148.52 26.45 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.929 -0.578 . . . . 71.13 109.726 172.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 15.5 tt -135.11 105.5 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 CA-C-O 122.328 1.061 . . . . 54.53 109.212 177.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 62.98 26.44 15.51 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 113.838 -1.528 . . . . 73.2 111.264 -173.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.23 -20.08 51.91 Favored Glycine 0 C--N 1.341 0.851 0 CA-C-N 116.147 -0.478 . . . . 75.11 112.746 -177.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.03 107.5 10.64 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.354 -0.61 . . . . 62.2 109.354 178.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -80.91 125.21 29.83 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.376 -0.53 . . . . 71.4 110.51 -176.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.41 135.14 44.18 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.373 -0.83 . . . . 74.12 109.712 174.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 29.1 p-90 -73.94 -28.94 61.75 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 109.166 -0.679 . . . . 75.31 109.166 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -159.03 139.66 12.52 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.222 -0.899 . . . . 71.14 109.217 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -119.47 163.03 17.87 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.452 -0.794 . . . . 63.1 109.216 171.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -132.76 136.25 46.22 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.013 -0.736 . . . . 73.23 109.013 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.471 HD22 HD13 ' A' ' 14' ' ' LEU . 63.1 mt -108.77 152.19 25.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.127 -0.488 . . . . 71.25 110.381 -176.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.421 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 46.5 t-20 -86.88 85.18 7.25 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 107.824 -1.176 . . . . 73.25 107.824 171.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.22 -24.6 64.04 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 124.149 0.98 . . . . 75.0 112.681 -173.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -71.82 -39.44 69.82 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.993 0.808 . . . . 71.53 111.347 176.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 tp -79.39 -24.26 42.71 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.248 -0.433 . . . . 71.0 110.884 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 95.9 mt -82.34 -27.2 32.36 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.047 0.539 . . . . 74.21 111.432 176.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.18 -40.67 94.58 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.415 -0.811 . . . . 61.13 109.387 171.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -80.64 -19.52 45.14 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 115.018 -0.992 . . . . 71.04 112.009 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.76 -38.37 64.73 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 123.1 0.25 . . . . 60.44 110.785 175.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.29 -36.7 61.12 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.773 -0.648 . . . . 65.23 110.685 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.2 tt -56.29 -45.48 80.15 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.762 1.225 . . . . 64.12 110.725 172.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.95 73.05 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.394 -0.821 . . . . 63.13 111.792 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.96 74.59 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.208 0.447 . . . . 72.53 112.208 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -77.07 -22.15 53.31 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.665 -0.698 . . . . 72.34 111.625 174.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.64 9.67 33.81 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.888 -0.596 . . . . 64.53 111.945 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 66.86 25.97 9.41 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.795 1.238 . . . . 63.12 111.401 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -109.46 122.55 39.14 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.863 -0.608 . . . . 73.52 109.93 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -66.12 124.38 12.52 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.16 1.907 . . . . 72.24 110.673 168.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -100.72 124.23 46.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.038 -0.528 . . . . 75.13 109.916 -173.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -137.02 120.82 17.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.0 0.429 . . . . 71.21 110.163 175.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.5 t -127.88 147.85 50.46 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.832 -0.622 . . . . 73.14 110.051 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -99.23 2.38 45.6 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.424 -0.353 . . . . 73.51 110.881 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -74.36 165.97 24.28 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.802 -0.814 . . . . 74.31 108.802 174.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.454 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 12.3 p-90 -70.5 155.67 40.4 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 109.889 -0.411 . . . . 71.31 109.889 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.4 p -133.83 -24.15 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 121.077 0.465 . . . . 74.35 111.205 174.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.1 tp -145.37 117.8 8.51 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-O 121.409 0.623 . . . . 72.41 111.308 -171.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.05 108.92 20.23 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.846 -1.07 . . . . 71.41 108.837 172.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.9 t -100.86 116.68 44.85 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 N-CA-C 106.863 -1.532 . . . . 61.55 106.863 -176.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -123.2 130.95 53.45 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.591 -0.843 . . . . 72.04 111.897 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.6 t -137.95 158.72 43.77 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.717 -1.128 . . . . 73.22 109.711 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.4 mt -111.74 123.54 50.46 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.03 -0.359 . . . . 62.24 110.03 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -104.67 95.37 5.85 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.39 -0.368 . . . . 75.13 110.392 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.05 -89.75 0.89 Allowed Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 110.792 -0.923 . . . . 52.25 110.792 -175.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -129.48 -4.36 4.8 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.038 0.535 . . . . 74.24 111.154 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 t -95.69 170.62 9.2 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 122.019 -0.426 . . . . 75.05 110.036 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.03 128.96 49.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.94 -0.393 . . . . 70.43 109.94 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 -122.56 119.92 32.27 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.27 -0.423 . . . . 74.24 110.228 174.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.48 132.4 54.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.868 0.842 . . . . 64.11 109.531 171.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 14.7 m-90 -109.83 121.71 45.86 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 107.321 -1.363 . . . . 65.34 107.321 175.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -112.45 113.99 26.45 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.399 0.619 . . . . 73.35 109.906 -176.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -104.97 134.71 47.63 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.872 -1.058 . . . . 73.54 110.349 -176.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 81.9 p -74.48 160.81 30.45 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.071 -0.968 . . . . 74.52 110.133 175.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -60.66 -34.34 74.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.01 -0.995 . . . . 73.51 110.532 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.4 -37.02 74.4 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 123.878 0.736 . . . . 72.01 111.907 -178.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.412 ' HB1' HD11 ' A' ' 91' ' ' LEU . . . -72.15 -32.44 66.88 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.168 0.508 . . . . 53.31 111.994 178.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.7 t -76.41 -24.73 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 CA-C-N 115.592 -0.731 . . . . 74.33 111.181 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.87 -43.61 83.08 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 122.899 0.479 . . . . 65.43 111.839 174.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -92.13 9.58 32.94 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.639 0.607 . . . . 54.42 112.639 -175.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.87 133.1 54.18 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.669 0.747 . . . . 71.33 112.058 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.492 ' HB3' ' HB3' ' A' ' 90' ' ' ARG . 28.2 tt0 -93.54 123.94 58.67 Favored Pre-proline 0 C--N 1.316 -0.879 0 CA-C-N 114.092 -1.413 . . . . 72.12 111.146 -168.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -70.07 117.36 5.06 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.839 1.693 . . . . 74.23 111.418 175.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -82.58 173.24 12.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.742 -0.663 . . . . 73.53 111.174 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.52 -8.58 56.5 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.616 -0.72 . . . . 54.22 111.833 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -76.44 -24.07 53.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.076 0.551 . . . . 61.11 111.075 175.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.64 -15.14 26.7 Favored Glycine 0 C--N 1.339 0.724 0 N-CA-C 114.874 0.709 . . . . 71.05 114.874 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -123.44 -19.93 5.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.699 0.749 . . . . 60.4 110.428 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.6 m -93.42 145.25 24.63 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.756 -0.656 . . . . 74.42 111.133 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.44 ' CD1' HD13 ' A' ' 10' ' ' LEU . 75.8 m95 -125.76 140.44 52.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.778 -1.101 . . . . 75.23 109.555 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.492 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 63.9 ttt180 -92.63 108.05 19.68 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 109.243 -0.651 . . . . 62.04 109.243 175.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.412 HD11 ' HB1' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -91.06 100.12 13.03 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 107.924 -1.139 . . . . 75.54 107.924 175.078 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.8 t -92.04 123.18 35.21 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.005 -0.998 . . . . 54.12 109.059 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 76.5 p -122.79 -171.42 2.28 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.312 -0.858 . . . . 75.52 109.938 -176.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.56 -1.79 89.17 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 121.223 -0.513 . . . . 74.51 112.222 171.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -98.24 -48.86 4.92 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.311 -0.626 . . . . 71.23 109.311 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.79 -115.69 0.55 Allowed Glycine 0 C--N 1.34 0.76 0 C-N-CA 120.857 -0.687 . . . . 70.2 113.194 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -146.62 133.29 19.92 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.159 0.584 . . . . 64.12 110.546 -174.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.441 ' HB3' HD11 ' A' ' 22' ' ' ILE . 84.0 m-85 -130.35 117.23 19.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.374 -0.83 . . . . 75.43 108.86 -177.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.51 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 11.9 tt0 -84.19 100.42 11.16 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.935 0.398 . . . . 65.41 110.735 -175.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.2 mt -93.35 109.06 20.62 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.153 0.501 . . . . 54.21 110.395 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -109.39 119.52 39.71 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.809 -0.632 . . . . 74.2 109.489 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 36.4 m -92.07 121.64 33.82 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 114.43 -1.259 . . . . 72.31 111.157 -174.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.3 mt . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 114.98 -1.009 . . . . 75.3 109.649 -178.424 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 . . . . . 0 CA--C 1.517 -0.29 0 CA-C-O 121.642 0.734 . . . . 71.23 110.482 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 78.1 m-85 -86.88 -172.81 4.17 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 107.799 -1.186 . . . . 70.13 107.799 168.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 89' ' ' TRP . 56.8 tp -63.14 -27.47 69.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.588 -0.278 . . . . 73.12 110.593 172.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.5 tp -54.61 -49.91 69.34 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.414 1.086 . . . . 61.41 112.514 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.18 -28.34 61.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.296 -0.411 . . . . 64.32 110.891 -178.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 31.2 mm-40 -74.66 -37.72 62.65 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 115.63 -0.714 . . . . 72.42 112.662 -177.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.441 HD13 HD22 ' A' ' 32' ' ' LEU . 3.5 pp -69.51 -26.69 64.66 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.616 0.599 . . . . 74.23 112.616 -176.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -75.38 -20.82 58.75 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.608 -0.724 . . . . 72.22 111.85 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 p -119.72 11.52 11.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.537 0.569 . . . . 73.23 112.537 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.99 141.21 47.7 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 122.208 -0.308 . . . . 72.21 111.45 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.37 -22.22 15.14 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.653 -0.703 . . . . 73.44 109.989 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.482 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 42.5 mmm -118.35 132.02 56.29 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 114.748 -1.114 . . . . 64.42 108.805 -176.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.6 mt -121.71 118.81 30.02 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.169 -0.678 . . . . 74.45 109.169 168.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 36.0 tt0 -98.76 140.03 33.57 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.009 -0.996 . . . . 74.54 108.678 179.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 22.6 mt -126.6 102.61 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 123.827 0.705 . . . . 73.13 109.696 173.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 63.01 28.38 16.21 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 114.306 -1.315 . . . . 74.04 113.043 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.11 -21.36 46.16 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 120.954 -0.641 . . . . 75.42 112.847 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 tt -87.81 118.93 27.66 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.78 -0.822 . . . . 63.04 108.78 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -77.5 123.26 26.35 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.539 -0.755 . . . . 65.31 111.729 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.72 118.0 21.89 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 108.934 -0.765 . . . . 73.1 108.934 171.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.7 p-90 -78.15 -17.87 56.31 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.038 -0.528 . . . . 71.11 111.671 -174.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -148.05 136.22 21.26 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.801 -0.636 . . . . 71.12 109.353 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -139.76 161.95 36.32 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.129 -0.941 . . . . 74.33 109.816 172.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -134.47 137.2 43.74 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.271 -0.64 . . . . 71.24 109.271 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.441 HD22 HD13 ' A' ' 14' ' ' LEU . 13.4 mt -105.46 139.09 40.61 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 108.106 -1.072 . . . . 75.35 108.106 178.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.566 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 51.1 t-20 -76.78 98.64 4.87 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.834 -0.802 . . . . 74.33 108.834 176.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -73.94 -37.57 64.53 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.16 0.913 . . . . 71.25 112.071 -168.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -62.55 -39.49 93.8 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.891 0.744 . . . . 74.44 111.267 177.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.0 tp -76.14 -29.4 57.78 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.949 -0.569 . . . . 61.14 111.634 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 61.0 mt -78.39 -21.27 49.58 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.047 0.388 . . . . 75.23 112.047 178.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.29 -38.78 78.48 Favored 'General case' 0 C--O 1.225 -0.193 0 O-C-N 123.651 0.594 . . . . 71.2 109.83 172.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -77.36 -27.49 52.63 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.947 0.779 . . . . 72.33 111.027 178.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.33 -39.55 85.83 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.54 0.525 . . . . 72.52 111.345 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.39 -29.41 47.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.343 -0.844 . . . . 64.13 110.756 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.18 -46.04 82.42 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.7 0.8 . . . . 64.32 110.001 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.73 -31.86 61.96 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 115.832 -0.622 . . . . 72.23 111.422 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.35 87.4 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.535 0.198 . . . . 53.11 111.535 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -71.38 -19.54 62.26 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.467 0.543 . . . . 73.42 112.467 174.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.32 -3.12 58.61 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 119.249 -0.405 . . . . 74.31 111.909 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.7 t70 68.17 23.47 7.91 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 125.405 1.482 . . . . 72.31 111.47 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -108.51 135.62 20.0 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.56 -0.745 . . . . 73.22 109.067 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -67.06 125.8 14.17 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.466 2.111 . . . . 63.41 112.32 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -92.05 120.63 32.86 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.696 0.76 . . . . 72.41 110.839 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.34 131.98 54.51 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.45 -1.25 . . . . 75.54 109.379 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.8 t -151.68 139.48 19.87 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.349 -0.982 . . . . 73.51 108.349 175.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -113.11 14.62 19.55 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.15 0.5 . . . . 64.13 110.233 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.4 177.64 8.65 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.592 -0.731 . . . . 65.33 109.37 173.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.4 p-90 -73.44 149.24 42.53 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 109.915 -0.402 . . . . 72.22 109.915 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.36 -20.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.023 0.439 . . . . 64.32 110.707 172.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -133.02 132.13 41.5 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.562 -0.29 . . . . 73.03 110.659 -176.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.81 99.62 5.61 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.798 -0.816 . . . . 24.13 108.798 170.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.451 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -103.24 108.62 24.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.497 -0.774 . . . . 62.21 109.999 -177.593 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -100.2 132.51 45.52 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 122.342 1.067 . . . . 65.13 109.77 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.2 m -131.78 122.03 25.14 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 114.235 -1.348 . . . . 75.13 109.852 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' A' ' 66' ' ' THR . 7.8 mp -108.35 103.52 12.69 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.211 -1.033 . . . . 75.22 108.211 173.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -102.85 98.31 8.32 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.998 -1.112 . . . . 74.43 107.998 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.23 -102.18 2.39 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.383 -1.087 . . . . 71.32 110.383 -168.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -139.54 45.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 72.31 110.686 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 10.7 t -107.19 126.47 52.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.429 0.633 . . . . 71.51 110.035 172.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -91.96 98.32 11.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.65 -0.705 . . . . 72.33 109.667 174.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -130.82 119.52 22.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.978 -0.555 . . . . 71.34 110.395 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -122.72 125.66 45.97 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.75 -0.659 . . . . 71.34 109.739 175.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.451 ' HB2' HG23 ' A' ' 59' ' ' VAL . 13.1 m-90 -95.62 125.06 39.95 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.48 -0.933 . . . . 73.45 108.48 174.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 73.1 mtp85 -110.15 112.0 23.71 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 109.039 -0.726 . . . . 74.03 109.039 176.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -101.5 140.64 35.51 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.489 -0.778 . . . . 75.25 109.052 -173.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.8 p -81.82 163.01 22.63 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.002 0.814 . . . . 73.12 110.917 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.409 ' O ' ' HG2' ' A' ' 78' ' ' MET . 72.0 t80 -63.93 -40.68 97.02 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.095 -0.957 . . . . 73.22 111.362 -178.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.72 -27.49 63.04 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.492 0.553 . . . . 72.43 112.492 -178.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.97 -27.81 63.02 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 123.724 0.64 . . . . 64.04 111.438 174.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 24.7 t -79.94 -27.51 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 123.918 0.887 . . . . 65.53 111.324 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 74' ' ' TYR . 95.2 mmm -79.1 -30.5 43.84 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 122.372 -0.205 . . . . 65.45 111.484 177.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -90.85 3.78 53.57 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 119.425 -0.321 . . . . 70.11 111.827 175.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.71 117.96 6.5 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 123.585 0.553 . . . . 74.34 110.758 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -85.68 129.09 56.15 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 114.524 -1.216 . . . . 63.21 110.697 -169.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -67.81 117.95 5.26 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 121.386 1.391 . . . . 75.04 111.969 176.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -85.88 179.19 7.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.446 -0.797 . . . . 72.2 109.597 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.94 -7.25 51.63 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.233 1.197 . . . . 64.1 114.233 -168.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -83.35 -22.01 32.97 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.484 0.183 . . . . 63.31 110.846 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.04 -15.52 21.24 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 116.213 -0.449 . . . . 74.24 113.578 -175.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -108.62 -26.74 10.22 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 109.408 -0.59 . . . . 64.31 109.408 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.1 m -84.4 140.73 31.34 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 114.704 -1.135 . . . . 63.33 110.968 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.461 ' CD1' HD13 ' A' ' 10' ' ' LEU . 66.0 m95 -126.39 142.3 51.58 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.014 -0.994 . . . . 71.34 108.766 177.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -88.76 111.45 22.02 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.742 -0.836 . . . . 74.53 108.742 174.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.26 101.29 12.91 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.332 -0.849 . . . . 74.45 108.754 176.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 p -83.57 125.72 32.08 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.196 -0.911 . . . . 62.13 110.321 178.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.8 p -130.55 -178.22 4.68 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.371 -0.832 . . . . 72.01 110.142 -176.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.39 -15.19 81.72 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.754 -0.538 . . . . 72.3 111.754 170.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -79.44 -32.64 42.8 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.324 0.65 . . . . 72.2 110.467 172.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 153.93 -110.7 0.46 Allowed Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.261 -0.495 . . . . 15.12 112.823 177.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -149.26 134.21 18.01 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.677 -0.861 . . . . 72.52 108.677 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -127.7 137.04 52.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.797 -0.446 . . . . 71.34 109.797 -176.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.491 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 18.8 tt0 -87.83 100.54 12.94 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.487 -0.56 . . . . 73.31 109.487 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 2.5 mt -95.05 108.99 21.09 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.809 -0.441 . . . . 64.13 109.809 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 101' ' ' ARG . 12.8 ttp180 -115.92 125.95 53.26 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-O 121.492 0.663 . . . . 72.21 110.466 -177.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 59.7 m -92.69 120.95 33.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.868 -1.06 . . . . 62.02 111.138 -175.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 19' ' ' MET . 3.3 mt . . . . . 0 N--CA 1.464 0.269 0 CA-C-N 115.724 -0.671 . . . . 74.45 109.514 -179.13 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.431 ' O ' ' HH2' ' A' ' 89' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.443 -0.79 0 N-CA-C 106.447 -1.686 . . . . 62.13 106.447 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -99.93 167.79 10.28 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 114.967 -1.015 . . . . 73.32 108.55 177.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.543 HD13 ' CD1' ' A' ' 89' ' ' TRP . 47.6 tp -65.97 -30.5 71.08 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 117.825 0.284 . . . . 73.13 110.305 174.205 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.5 tp -65.7 -31.76 72.94 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.663 -0.699 . . . . 73.02 111.5 175.573 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -82.31 -30.4 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.925 0.393 . . . . 61.25 110.205 177.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -71.47 -37.25 71.36 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.48 -0.782 . . . . 33.14 113.02 -178.345 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -70.98 -21.11 62.35 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 120.941 0.4 . . . . 61.3 111.945 -178.444 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -67.48 -21.82 65.5 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.546 -0.752 . . . . 75.31 112.526 173.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -127.34 20.85 6.73 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.85 0.46 . . . . 71.03 111.478 178.177 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.31 140.94 38.46 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 120.639 -0.424 . . . . 72.21 110.635 179.211 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -106.48 -45.23 4.3 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.461 -0.791 . . . . 73.41 109.549 177.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 28.2 ttp -111.79 130.08 55.92 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.404 -0.816 . . . . 71.44 109.526 175.796 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.1 tp -121.53 126.4 49.1 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.721 -0.844 . . . . 73.22 108.721 176.576 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.653 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 30.1 tt0 -98.29 152.45 19.41 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.427 -0.806 . . . . 62.42 109.797 -177.431 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.507 ' CG1' ' HB3' ' A' ' 98' ' ' TYR . 15.5 tt -134.35 107.64 9.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 CA-C-O 121.699 0.762 . . . . 54.42 110.969 175.252 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 54.96 42.9 30.68 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.537 1.535 . . . . 73.43 111.984 175.836 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.0 -17.98 58.29 Favored Glycine 0 C--N 1.343 0.945 0 O-C-N 121.816 -0.553 . . . . 62.53 113.771 178.604 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tt -102.34 115.15 29.97 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.684 -0.858 . . . . 72.32 108.684 -177.584 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 42.8 p-80 -75.38 131.18 40.04 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.444 -0.502 . . . . 70.52 110.205 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.02 146.01 35.6 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.295 -0.632 . . . . 75.35 109.295 173.116 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 -79.88 -22.77 42.44 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 109.533 -0.543 . . . . 75.34 109.533 179.365 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -156.37 144.78 19.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.839 -0.618 . . . . 73.13 110.165 -176.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -129.7 151.04 50.73 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.72 -0.474 . . . . 72.43 109.72 165.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -122.33 144.49 48.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.943 -0.571 . . . . 73.13 110.128 -176.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.7 mt -113.69 140.16 48.46 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.464 -0.789 . . . . 64.52 110.609 -177.784 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.439 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 49.1 t-20 -82.29 91.4 6.77 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 108.546 -0.909 . . . . 61.3 108.546 171.586 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.42 -23.11 56.95 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.799 -0.637 . . . . 74.43 112.446 -172.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -68.39 -39.97 81.5 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 122.979 0.512 . . . . 71.12 110.9 172.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.3 tp -79.15 -25.39 42.87 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.036 -0.529 . . . . 74.24 111.009 178.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 79.2 mt -81.28 -18.66 45.1 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.518 -0.31 . . . . 70.25 111.575 177.038 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.05 -42.0 76.87 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.625 -0.88 . . . . 75.55 108.625 170.404 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -75.89 -22.28 56.29 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.282 -0.872 . . . . 72.5 111.711 178.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.6 -40.98 76.32 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.37 -0.377 . . . . 61.43 111.06 174.108 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -74.2 -31.9 62.84 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.882 -0.599 . . . . 64.41 110.076 177.148 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.71 -48.18 81.93 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.393 1.077 . . . . 71.44 110.973 178.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.58 79.81 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 123.479 0.487 . . . . 75.53 111.011 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.92 -25.62 63.75 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 120.922 0.391 . . . . 54.22 111.857 178.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -77.57 -18.49 56.86 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.028 0.531 . . . . 71.1 111.44 171.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.85 14.11 31.48 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 122.472 0.309 . . . . 74.42 111.586 176.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.7 t70 76.54 -1.46 2.88 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.295 1.438 . . . . 74.4 112.119 176.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -93.66 144.59 28.45 Favored Pre-proline 0 C--N 1.315 -0.907 0 O-C-N 121.349 -0.844 . . . . 75.34 111.416 -173.245 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.33 126.56 9.84 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 121.786 1.658 . . . . 62.31 110.42 166.063 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -78.81 132.54 36.9 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.475 -0.49 . . . . 63.21 110.155 178.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -136.67 119.85 16.67 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.101 -0.954 . . . . 74.01 109.418 177.499 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.2 t -136.27 149.46 48.48 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.587 -0.733 . . . . 71.12 109.066 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -108.69 12.3 25.89 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.967 0.413 . . . . 72.25 110.896 176.542 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.82 163.23 23.6 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 108.571 -0.9 . . . . 63.4 108.571 171.228 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 5.4 p-90 -65.58 151.39 46.56 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.292 0.37 . . . . 63.4 110.497 -178.382 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 p -137.7 -22.6 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 120.444 -0.502 . . . . 64.12 111.428 173.063 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -137.36 122.13 18.71 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.822 -0.436 . . . . 74.43 109.822 -172.365 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.81 110.43 14.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.548 -0.751 . . . . 72.14 110.162 177.232 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -100.63 108.14 22.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.121 0.486 . . . . 53.22 110.857 -179.353 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.11 131.17 47.18 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.412 0.625 . . . . 71.31 109.761 177.319 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 m -118.99 159.42 23.88 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.566 -1.197 . . . . 74.23 109.564 178.058 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.0 mt -122.99 105.09 9.67 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.418 0.628 . . . . 74.42 110.045 172.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -102.55 94.68 5.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.09 -0.959 . . . . 72.2 109.025 177.104 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.14 -124.03 6.27 Favored Glycine 0 N--CA 1.44 -1.04 0 N-CA-C 108.963 -1.655 . . . . 61.0 108.963 -164.047 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -118.73 76.0 1.07 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 122.498 1.142 . . . . 74.51 108.115 165.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.7 m -142.62 108.79 5.23 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 113.284 -1.78 . . . . 71.34 109.116 -172.497 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -77.82 99.42 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.669 -0.696 . . . . 74.41 109.525 179.169 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -116.7 113.31 22.45 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.705 -0.68 . . . . 61.44 109.591 -172.599 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -125.48 134.75 51.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.285 0.564 . . . . 64.42 111.724 -171.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 17.9 m-90 -111.18 124.84 53.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.026 -0.988 . . . . 74.33 109.092 171.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -108.89 128.34 54.83 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.422 0.629 . . . . 71.14 110.775 178.415 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -117.55 139.75 50.54 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.638 -1.165 . . . . 62.11 109.628 -178.247 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.5 m -72.44 161.44 30.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.164 -0.925 . . . . 62.53 110.514 178.199 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -59.97 -39.04 84.26 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.451 0.7 . . . . 54.41 110.503 176.451 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -42.79 99.64 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.781 0.676 . . . . 72.45 111.728 175.181 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.472 ' HB1' HD11 ' A' ' 91' ' ' LEU . . . -67.26 -36.57 81.86 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 123.774 0.671 . . . . 73.15 111.856 -179.287 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.1 -27.41 17.97 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 123.221 0.608 . . . . 64.42 112.086 178.212 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.29 -36.85 63.8 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.261 -0.274 . . . . 73.41 111.508 174.201 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -89.09 3.36 52.05 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 112.581 0.586 . . . . 43.44 112.581 -175.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.495 ' HB1' ' HB3' ' A' ' 89' ' ' TRP . . . -57.08 125.61 23.45 Favored 'General case' 0 CA--C 1.519 -0.221 0 O-C-N 123.931 0.769 . . . . 71.13 111.317 179.418 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -79.84 123.81 83.61 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.148 -0.933 . . . . 74.31 111.42 -171.001 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -67.92 122.63 9.76 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.07 1.847 . . . . 74.34 111.779 175.298 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -88.75 178.88 6.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.901 -0.591 . . . . 62.13 109.774 177.481 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.73 -16.05 61.19 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 111.932 0.345 . . . . 61.32 111.932 -179.161 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -73.65 -23.3 59.84 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.113 0.565 . . . . 63.22 111.428 176.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.29 -17.84 9.36 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 114.518 0.567 . . . . 75.22 114.518 174.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 3.8 mp0 -114.76 -10.12 12.45 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 117.098 0.449 . . . . 71.32 109.873 173.608 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.7 m -92.05 135.99 33.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.249 0.547 . . . . 51.22 110.401 178.465 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.543 ' CD1' HD13 ' A' ' 10' ' ' LEU . 70.6 m95 -128.27 125.21 38.41 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 115.284 -0.871 . . . . 73.01 110.39 -178.283 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -81.46 108.25 14.9 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.019 -0.734 . . . . 73.51 109.019 173.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.472 HD11 ' HB1' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -90.21 99.17 12.24 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 107.297 -1.372 . . . . 65.32 107.297 176.539 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.71 128.87 40.13 Favored 'General case' 0 N--CA 1.432 -1.332 0 CA-C-N 115.529 -0.76 . . . . 74.21 109.512 177.446 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.8 p -124.68 -172.91 2.67 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.605 -1.18 . . . . 74.24 109.615 -175.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -76.05 -16.27 80.8 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 116.104 -0.498 . . . . 71.53 111.882 170.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -88.28 -48.81 7.39 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.082 0.553 . . . . 72.24 110.835 179.155 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -178.42 -128.39 1.17 Allowed Glycine 0 C--N 1.341 0.85 0 C-N-CA 120.669 -0.777 . . . . 72.42 114.17 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -145.3 122.22 11.32 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.777 0.831 . . . . 74.41 110.196 -173.532 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.507 ' HB3' ' CG1' ' A' ' 22' ' ' ILE . 76.1 m-85 -131.33 115.01 15.7 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.773 -0.649 . . . . 74.05 109.714 -173.238 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -87.57 103.89 15.98 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 119.846 -0.742 . . . . 60.11 111.158 -173.157 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.653 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 78.2 mt -89.71 109.91 20.85 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 109.339 -0.615 . . . . 73.13 109.339 -177.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 30.3 ttp180 -110.24 116.2 31.06 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 121.357 0.599 . . . . 73.22 110.341 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.6 p -82.49 124.74 30.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.731 -1.122 . . . . 73.44 111.097 -176.156 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.7 mt . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 114.631 -1.168 . . . . 64.1 109.058 -176.096 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.3 mtm105 . . . . . 0 CA--C 1.489 -1.367 0 CA-C-O 122.578 1.18 . . . . 71.45 111.878 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -93.4 169.86 10.05 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-N 113.8 -1.545 . . . . 73.12 107.096 165.831 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.562 HD13 ' CD1' ' A' ' 89' ' ' TRP . 22.1 tp -65.2 -24.59 67.4 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 110.174 -0.306 . . . . 70.23 110.174 175.222 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.6 HD11 HD22 ' A' ' 37' ' ' LEU . 43.8 tp -66.05 -29.97 70.41 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.618 0.767 . . . . 73.02 112.495 176.127 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -80.62 -35.75 33.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.08 0.467 . . . . 63.33 110.329 176.542 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.54 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 24.6 mm-40 -74.42 -29.4 61.49 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.533 0.938 . . . . 71.12 113.533 -175.426 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -74.94 -21.63 59.07 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.395 0.517 . . . . 53.33 112.395 -179.032 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -70.84 -31.26 67.92 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.528 0.518 . . . . 71.11 111.438 177.436 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -104.15 2.68 32.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.625 0.602 . . . . 44.15 112.625 -178.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.49 130.45 35.05 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.765 0.317 . . . . 45.54 111.397 -178.449 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -92.15 -38.92 11.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.915 0.865 . . . . 74.42 109.426 175.2 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.3 ttp -128.64 140.56 51.7 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.216 -1.356 . . . . 72.54 109.427 178.541 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 20' ' ' LEU . 14.0 mt -116.08 129.85 56.54 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.469 0.652 . . . . 73.14 110.172 173.644 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -104.42 146.03 29.42 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.301 -1.318 . . . . 72.33 108.746 176.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.54 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.3 tt -135.87 114.3 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.12 0 CA-C-O 121.724 0.773 . . . . 60.02 110.235 172.13 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 t70 63.22 24.9 14.56 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 114.286 -1.324 . . . . 72.31 111.841 176.211 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.64 -17.96 55.8 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 121.231 -0.509 . . . . 35.01 113.376 -178.685 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 tp -93.53 126.53 38.74 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.81 -0.441 . . . . 75.41 109.81 179.121 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -87.38 123.84 32.75 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.064 -0.516 . . . . 70.24 110.659 -174.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.31 131.54 35.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.877 -0.601 . . . . 73.13 110.293 178.555 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.7 p-90 -78.1 -28.39 48.66 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.108 0.48 . . . . 71.43 110.718 -176.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -134.18 134.82 42.54 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 121.785 0.802 . . . . 75.14 109.031 -179.232 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 40.7 p90 -133.12 152.59 51.94 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 113.906 -1.497 . . . . 62.33 107.808 169.693 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -129.45 133.13 47.15 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 109.087 -0.709 . . . . 74.31 109.087 -178.184 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.6 mt -101.63 136.75 40.95 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 107.76 -1.2 . . . . 60.5 107.76 176.089 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.568 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.5 t-20 -78.27 90.99 4.36 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 108.519 -0.919 . . . . 74.25 108.519 177.063 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -66.57 -36.41 82.59 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.84 0.856 . . . . 65.44 112.064 -172.217 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.421 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 23.7 t-20 -55.34 -50.56 69.34 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 124.391 1.057 . . . . 64.02 111.386 173.383 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.6 tp -77.68 -24.84 49.22 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 115.854 -0.612 . . . . 71.25 111.7 -176.252 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.6 HD22 HD11 ' A' ' 11' ' ' LEU . 21.0 mt -83.32 -22.57 32.86 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.196 0.443 . . . . 53.43 112.196 179.464 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.48 -38.82 84.98 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.559 -0.904 . . . . 70.41 108.559 171.052 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 35' ' ' ASN . 85.4 mt-30 -74.59 -30.2 61.6 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 114.981 -1.009 . . . . 74.13 111.99 177.852 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.93 -41.92 67.27 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.444 0.465 . . . . 64.12 111.855 -178.702 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -71.4 -36.88 71.51 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.747 -0.66 . . . . 61.3 110.487 176.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.65 -36.89 85.31 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.259 1.024 . . . . 52.42 111.692 178.066 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.27 -44.25 53.64 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.912 -0.586 . . . . 74.41 111.018 177.587 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.44 -36.8 83.55 Favored 'General case' 0 C--O 1.224 -0.238 0 O-C-N 124.042 0.839 . . . . 74.0 112.244 -179.186 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.48 -14.86 61.31 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.519 0.563 . . . . 73.33 112.519 177.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.95 11.58 37.2 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.263 0.225 . . . . 73.12 111.412 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.0 t70 75.53 -4.08 2.45 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 126.064 1.746 . . . . 64.24 112.576 177.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -78.98 124.07 84.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 121.692 -0.63 . . . . 71.42 110.203 -176.254 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -70.51 122.78 9.24 Favored 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 121.875 1.716 . . . . 74.14 110.996 174.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -89.62 120.05 30.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.359 0.6 . . . . 71.3 110.963 -170.297 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.56 121.93 39.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.371 -0.831 . . . . 62.23 110.106 177.742 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 p -145.07 134.15 22.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.545 0.688 . . . . 43.14 110.567 174.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -94.04 18.14 11.18 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.039 -0.982 . . . . 65.3 111.86 177.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -84.73 172.0 11.87 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 108.521 -0.918 . . . . 74.24 108.521 172.535 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.1 p-90 -77.0 157.07 31.42 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 120.878 0.37 . . . . 75.22 110.355 -179.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.502 HG23 HD21 ' A' ' 37' ' ' LEU . 13.6 p -133.42 -28.21 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.084 0.469 . . . . 55.21 111.096 175.495 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.98 126.6 36.45 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.499 -0.556 . . . . 72.21 109.499 -172.723 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 30' ' ' PHE . . . -128.62 102.41 6.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.253 -0.43 . . . . 75.43 109.944 173.214 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.428 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -101.82 116.1 44.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.81 -0.811 . . . . 71.5 108.81 179.697 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -113.76 135.09 54.33 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.83 0.824 . . . . 71.14 110.146 176.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.8 t -133.73 129.84 37.27 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.014 -0.993 . . . . 72.32 110.176 -175.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' A' ' 66' ' ' THR . 65.2 mt -87.46 107.89 18.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.095 0.474 . . . . 71.25 110.598 179.369 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -115.45 98.05 6.51 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.471 -0.786 . . . . 74.44 109.199 -176.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.59 -90.49 1.44 Allowed Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 114.984 -1.007 . . . . 45.13 111.366 -173.006 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -141.87 30.99 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.698 0.399 . . . . 73.33 111.369 -179.016 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 7.4 t -140.03 146.24 38.77 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.317 -0.553 . . . . 74.1 112.074 -178.531 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.9 mtm105 -85.33 103.82 14.6 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 108.071 -1.085 . . . . 75.54 108.071 167.171 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -89.84 115.34 27.09 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 106.656 -1.609 . . . . 75.02 106.656 172.094 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -124.21 127.86 48.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.317 0.58 . . . . 64.52 111.461 -167.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.428 ' HB2' HG23 ' A' ' 59' ' ' VAL . 8.8 m-90 -114.1 124.09 51.25 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.504 -0.925 . . . . 75.52 108.504 177.486 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -119.0 129.7 55.29 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.276 0.56 . . . . 63.12 109.968 178.593 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -115.32 145.15 42.77 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.883 -1.053 . . . . 74.01 110.575 -175.359 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.6 m -76.93 160.82 28.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.229 0.955 . . . . 72.33 110.228 175.476 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -63.43 -43.89 96.13 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.758 -0.656 . . . . 62.32 112.054 -176.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -76.58 -20.02 57.26 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.409 0.443 . . . . 73.43 112.066 -177.742 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.17 -40.36 86.61 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.026 0.441 . . . . 53.41 111.036 168.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.2 t -69.31 -29.22 41.54 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 C-N-CA 123.644 0.778 . . . . 72.0 111.752 172.674 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 19.2 mmt -67.12 -40.42 86.83 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.906 0.336 . . . . 73.3 111.906 175.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -91.43 2.23 56.56 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.593 0.59 . . . . 73.4 112.593 -178.839 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 121.28 13.3 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.321 0.581 . . . . 63.35 111.049 179.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -85.19 129.39 55.99 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 114.634 -1.166 . . . . 71.21 111.783 -168.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -66.38 125.75 14.47 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 121.931 1.754 . . . . 64.31 112.193 174.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -85.38 178.82 7.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.349 -0.841 . . . . 73.3 110.82 -179.306 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.83 -20.44 62.56 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.72 -0.673 . . . . 62.24 111.642 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -72.42 -23.86 61.15 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.727 -0.669 . . . . 75.11 111.193 173.491 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.06 -16.19 17.56 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 114.894 0.717 . . . . 52.24 114.894 175.449 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 27.6 mt-10 -118.27 -13.11 9.87 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 117.342 0.571 . . . . 71.01 110.297 177.804 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.1 m -87.86 142.64 27.65 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.755 -0.657 . . . . 65.21 109.776 173.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.562 ' CD1' HD13 ' A' ' 10' ' ' LEU . 72.6 m95 -130.02 132.71 46.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.759 -0.655 . . . . 74.01 109.283 -178.174 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -86.38 105.57 16.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.434 -0.58 . . . . 74.34 109.434 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.44 100.75 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.158 -0.928 . . . . 70.35 108.778 174.693 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 t -90.26 121.33 32.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.03 0.919 . . . . 62.03 110.321 -179.714 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 73.1 p -122.11 -171.85 2.33 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.663 -1.153 . . . . 52.21 109.448 -178.087 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.82 -9.51 86.86 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 121.34 -0.457 . . . . 44.13 112.67 173.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -89.58 -50.31 6.16 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.697 -0.482 . . . . 72.12 109.697 176.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 173.03 -122.05 0.9 Allowed Glycine 0 C--N 1.335 0.523 0 CA-C-N 116.015 -0.539 . . . . 65.05 112.037 -177.272 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.2 123.0 15.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.354 0.597 . . . . 62.11 110.761 -175.164 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.439 ' HB3' HD11 ' A' ' 22' ' ' ILE . 88.8 m-85 -111.98 122.28 47.32 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.816 -1.083 . . . . 73.54 108.834 178.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.54 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 15.6 tt0 -88.73 101.71 14.27 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.588 -0.278 . . . . 70.13 110.745 -176.339 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.5 mt -91.49 110.42 21.73 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 109.409 -0.589 . . . . 71.42 109.409 178.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.457 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 24.2 ttp180 -112.77 127.72 56.23 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.326 0.584 . . . . 75.53 110.495 -179.705 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.54 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 67.3 m -83.72 118.26 23.78 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.668 -1.151 . . . . 64.33 110.684 179.111 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 114.316 -1.311 . . . . 74.05 110.158 -175.248 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.057 0 N-CA-C 111.894 -0.482 . . . . 64.23 111.894 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.8 m -139.47 88.64 2.27 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.585 -0.524 . . . . 62.44 109.585 174.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -86.44 -36.28 19.19 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 116.583 -0.28 . . . . 75.51 110.685 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 49.0 mtt -79.62 89.78 5.14 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-O 122.588 1.185 . . . . 71.35 110.826 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m -127.38 -37.51 2.02 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 112.304 -2.225 . . . . 71.11 108.468 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 t -98.32 -21.86 16.41 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 114.964 -1.016 . . . . 75.04 109.698 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -99.38 105.54 17.52 Favored 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 107.303 -1.369 . . . . 72.44 107.303 168.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -111.73 89.45 3.06 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 108.585 -0.894 . . . . 72.44 108.585 -172.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -92.96 -176.06 4.08 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 113.646 -1.615 . . . . 72.5 108.744 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.511 HD13 ' CD1' ' A' ' 89' ' ' TRP . 35.9 tp -63.88 -27.67 69.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.558 -0.292 . . . . 61.43 110.241 172.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.633 HD11 HD22 ' A' ' 37' ' ' LEU . 40.1 tp -61.23 -44.33 97.44 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 124.158 0.911 . . . . 71.51 112.119 174.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.95 -33.66 72.22 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.447 0.699 . . . . 71.11 111.526 177.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.97 -41.41 17.34 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.664 0.987 . . . . 73.32 113.664 -172.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.26 -21.53 63.89 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.177 0.806 . . . . 71.44 113.177 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.36 -42.0 96.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.133 0.573 . . . . 72.42 111.898 175.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 105' ' ' ALA . 17.7 p -96.86 -10.53 26.33 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.334 0.494 . . . . 74.44 112.334 -176.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.43 ' HB2' ' HB3' ' A' ' 102' ' ' CYS . . . -75.15 154.77 37.55 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 113.072 0.767 . . . . 64.14 113.072 -173.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -110.85 -48.3 3.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.983 -1.008 . . . . 54.22 109.643 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.2 ttp -110.91 151.69 27.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.109 -0.951 . . . . 51.13 109.323 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.6 tp -142.25 123.01 14.3 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 109.815 -0.439 . . . . 75.3 109.815 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.457 ' OE1' ' HD3' ' A' ' 101' ' ' ARG . 43.1 mt-10 -99.76 153.64 18.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.327 -0.249 . . . . 54.54 110.327 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.48 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.0 tt -137.09 108.12 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-O 121.975 0.893 . . . . 64.34 109.933 176.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.4 t0 62.91 24.95 14.83 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 125.055 1.342 . . . . 65.15 111.047 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.8 -11.35 60.88 Favored Glycine 0 CA--C 1.532 1.136 0 O-C-N 121.495 -0.753 . . . . 54.41 112.82 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 tt -93.66 112.42 24.29 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.785 -0.821 . . . . 74.55 108.785 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -75.43 134.12 40.97 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.917 0.389 . . . . 73.23 111.753 -177.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.78 141.55 30.64 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.913 -0.585 . . . . 43.25 110.184 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -90.41 -15.79 30.29 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.654 -0.703 . . . . 74.4 110.458 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -143.07 142.57 31.58 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.538 -0.755 . . . . 73.35 110.26 -175.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -153.93 146.78 24.37 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.47 -0.567 . . . . 74.21 109.47 166.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -126.73 151.63 47.91 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.961 -0.563 . . . . 71.13 110.252 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -122.51 146.72 47.14 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.385 -0.825 . . . . 65.43 111.084 -172.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.648 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.2 t-20 -84.66 85.78 7.39 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.675 -0.861 . . . . 53.33 108.675 173.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -74.46 -26.9 60.33 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.703 0.801 . . . . 72.21 111.456 -170.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -60.39 -43.2 96.87 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.933 1.293 . . . . 61.14 110.999 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.2 tp -77.62 -24.16 49.63 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.737 -0.665 . . . . 65.14 110.899 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 27.8 mt -83.43 -19.63 35.59 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 112.309 0.485 . . . . 74.53 112.309 -176.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.8 -47.27 78.68 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 123.768 0.668 . . . . 75.34 109.334 166.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -71.97 -30.41 65.25 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 124.065 0.853 . . . . 72.12 112.065 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.32 -49.06 68.27 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.449 -0.796 . . . . 43.41 111.144 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -72.2 -31.78 66.18 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 123.608 0.568 . . . . 75.33 111.077 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.19 -41.82 93.77 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.993 0.917 . . . . 74.32 111.389 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.23 -40.11 74.68 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.494 -0.775 . . . . 73.41 110.803 175.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.83 81.97 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 123.229 0.612 . . . . 72.43 111.973 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -69.74 -19.87 63.52 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.784 0.834 . . . . 70.02 111.818 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.1 5.28 52.21 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.167 -0.469 . . . . 72.01 111.303 173.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t70 67.31 25.52 8.75 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.116 1.766 . . . . 74.21 111.626 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -105.77 124.35 36.4 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.505 -0.554 . . . . 50.22 109.505 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -60.83 124.66 15.42 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.486 2.124 . . . . 64.13 112.397 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -99.45 133.12 44.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.746 -0.661 . . . . 72.32 109.467 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -144.53 122.89 12.32 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.749 -0.659 . . . . 33.21 109.819 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.0 t -140.11 139.37 35.81 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.05 -0.722 . . . . 74.23 109.05 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -92.77 15.4 14.68 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.417 0.525 . . . . 64.25 112.417 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -78.49 162.91 26.01 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.334 -0.988 . . . . 63.33 108.334 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 6.5 p-90 -69.01 154.41 42.11 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.092 0.472 . . . . 71.25 110.446 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.463 HG23 HD21 ' A' ' 37' ' ' LEU . 13.6 p -133.14 -26.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 120.951 0.405 . . . . 73.14 110.794 174.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.2 tp -144.71 117.81 8.89 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-O 121.237 0.541 . . . . 75.2 111.415 -168.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.26 112.68 24.79 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.398 -0.819 . . . . 62.14 108.977 171.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.9 t -100.25 116.42 43.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 114.874 -1.057 . . . . 73.32 109.17 -173.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -118.76 121.42 40.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.602 0.715 . . . . 72.45 112.024 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.1 t -117.0 152.28 34.96 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.223 -0.899 . . . . 62.24 108.798 168.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.3 mt -109.18 118.78 37.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.971 -0.751 . . . . 71.35 108.971 173.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -104.91 117.95 35.33 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.517 -1.29 . . . . 73.31 107.517 170.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.04 -110.46 3.33 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 109.311 -1.516 . . . . 74.34 109.311 -163.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 65' ' ' ARG . 28.0 mmt180 -134.36 19.95 3.67 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.263 0.468 . . . . 71.33 112.263 171.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 t -89.48 145.08 25.54 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 109.768 -0.456 . . . . 74.3 109.768 176.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -86.19 125.81 33.81 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.672 -0.492 . . . . 71.24 109.672 176.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 -119.69 114.63 22.48 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.801 -0.814 . . . . 72.34 108.801 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -126.07 122.35 35.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.087 0.47 . . . . 63.42 111.248 -168.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 22.2 m-90 -111.81 123.99 51.42 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.593 -0.891 . . . . 72.41 108.593 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -109.32 128.93 55.48 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 120.194 -0.602 . . . . 72.12 110.468 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -115.35 138.05 51.39 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 114.732 -1.122 . . . . 72.34 110.173 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.8 p -76.31 159.72 30.3 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 123.712 0.632 . . . . 43.44 110.027 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -62.85 -31.91 73.03 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.808 -0.633 . . . . 74.24 110.321 175.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.72 -46.6 84.67 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.254 -0.885 . . . . 75.43 110.796 178.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.17 93.86 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 123.904 0.753 . . . . 60.35 111.671 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.11 -29.08 45.64 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.173 0 C-N-CA 123.918 0.887 . . . . 61.22 112.797 176.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.1 mmt -77.28 -30.12 54.16 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 122.186 -0.321 . . . . 74.24 111.667 172.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -90.05 2.52 55.11 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.306 0.643 . . . . 73.05 111.762 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.85 123.67 26.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.585 -0.734 . . . . 74.22 110.89 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -86.08 130.36 50.44 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 114.825 -1.079 . . . . 72.23 111.969 -171.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -67.54 119.99 7.02 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.038 1.825 . . . . 73.12 111.851 173.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -90.28 172.98 8.39 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.837 -0.62 . . . . 74.34 110.383 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.37 -5.78 50.89 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.131 0.789 . . . . 72.5 113.131 -174.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -75.1 -23.62 57.98 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 122.713 0.405 . . . . 53.44 110.596 172.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.86 -16.05 44.19 Favored Glycine 0 C--N 1.34 0.752 0 CA-C-N 115.902 -0.59 . . . . 71.23 114.297 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.473 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 6.3 mp0 -118.38 -13.96 9.77 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 117.351 0.575 . . . . 73.03 110.67 176.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.3 m -91.93 141.69 28.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.212 0.529 . . . . 73.54 111.62 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.511 ' CD1' HD13 ' A' ' 10' ' ' LEU . 70.0 m95 -128.13 138.66 52.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.362 -0.835 . . . . 75.23 110.042 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -94.26 102.57 14.58 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.846 0.355 . . . . 73.01 110.342 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.437 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 4.5 mm? -91.85 98.38 11.56 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 115.715 -0.675 . . . . 71.51 109.272 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.0 p -97.03 98.11 9.79 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-O 121.873 0.844 . . . . 64.23 110.303 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.9 p -106.92 176.2 5.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.601 -1.181 . . . . 74.04 109.086 -175.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -79.36 -6.9 88.8 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 121.326 -0.464 . . . . 50.43 112.069 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -93.3 -35.48 13.05 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 122.354 0.262 . . . . 64.11 110.61 173.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.34 179.7 39.85 Favored Glycine 0 N--CA 1.444 -0.81 0 O-C-N 123.328 0.392 . . . . 73.43 112.78 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 91' ' ' LEU . . . -96.37 131.39 42.97 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 110.047 -0.353 . . . . 52.35 110.047 177.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.404 ' O ' ' HB2' ' A' ' 91' ' ' LEU . 93.9 m-85 -131.69 120.03 22.19 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.631 0.772 . . . . 75.2 110.021 -175.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.48 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 38.7 tt0 -87.05 101.6 13.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.181 -0.463 . . . . 71.43 110.616 -176.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.1 mt -93.21 111.9 23.68 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 120.868 0.366 . . . . 53.22 110.806 -177.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.473 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 32.4 ttt180 -116.29 108.46 16.12 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 115.891 -0.595 . . . . 74.13 110.134 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.43 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 12.8 m -83.69 124.43 30.84 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.296 0.569 . . . . 72.35 110.593 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.1 mt -120.33 145.46 47.09 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.986 -1.006 . . . . 63.23 110.835 -176.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 86.5 169.01 45.49 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.659 -0.781 . . . . 60.25 113.63 173.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 16' ' ' THR . . . -146.78 77.4 1.46 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.52 0.676 . . . . 63.32 110.725 -175.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.8 t -122.75 -12.71 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 115.744 -0.662 . . . . 64.35 110.152 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.6 m 61.69 97.84 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.501 1.521 . . . . 43.12 112.557 -174.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.82 -14.94 58.32 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.964 -0.562 . . . . 71.45 112.018 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.7 m -67.9 143.05 55.87 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 122.841 0.456 . . . . 52.34 111.247 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 115.08 49.43 0.5 Allowed Glycine 0 CA--C 1.508 -0.351 0 CA-C-N 116.082 -0.508 . . . . 62.24 111.853 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -108.52 -71.48 0.76 Allowed 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 119.206 -0.426 . . . . 73.41 111.262 -176.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -162.0 -72.77 0.05 Allowed 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.07 0.396 . . . . 64.23 112.07 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 . . . . . 0 C--O 1.245 0.833 0 CA-C-N 116.298 -0.41 . . . . 74.21 111.706 -169.432 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 112.162 -0.375 . . . . 73.03 112.162 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -92.82 -166.22 1.49 Allowed 'General case' 0 C--O 1.241 0.657 0 C-N-CA 122.833 0.453 . . . . 74.41 110.21 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 73.87 12.59 4.34 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.609 1.164 . . . . 64.11 112.083 173.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 69.5 mtm -81.53 110.48 16.96 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.584 -0.697 . . . . 74.54 109.225 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.45 ' HB ' ' OE1' ' A' ' 7' ' ' GLN . 15.2 p -71.69 -39.7 70.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.367 -0.833 . . . . 73.53 111.415 -174.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.6 t 45.61 49.76 10.88 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.05 1.74 . . . . 70.5 113.43 166.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.45 ' OE1' ' HB ' ' A' ' 5' ' ' THR . 2.1 mp0 -61.42 103.82 0.35 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 114.91 -1.041 . . . . 73.31 112.447 178.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -111.16 76.98 1.0 Allowed 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.413 -0.958 . . . . 75.1 108.413 168.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -100.41 167.51 10.34 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.773 -1.195 . . . . 75.02 107.773 170.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.493 HD13 ' CD1' ' A' ' 89' ' ' TRP . 48.9 tp -62.33 -30.95 71.53 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 123.13 0.268 . . . . 64.01 110.892 178.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 67.5 mt -58.89 -49.73 76.68 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 123.82 0.7 . . . . 71.52 111.899 172.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -64.19 -34.17 77.48 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.044 0.45 . . . . 75.14 111.068 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -69.17 -42.91 75.25 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.434 -0.803 . . . . 62.31 111.895 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.468 HD22 HD23 ' A' ' 57' ' ' LEU . 3.4 pp -75.19 -21.95 58.34 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 112.69 0.626 . . . . 75.12 112.69 -177.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 107' ' ' SER . 22.9 mm-40 -61.39 -37.34 83.09 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.321 0.648 . . . . 64.43 111.794 173.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 107' ' ' SER . 20.3 p -119.04 23.15 11.54 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 111.965 0.358 . . . . 75.0 111.965 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.2 130.9 34.8 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.642 -0.503 . . . . 71.4 109.642 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -94.54 -52.26 4.39 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.667 -0.864 . . . . 71.24 108.667 172.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.0 ttp -114.78 130.01 56.78 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.55 -1.205 . . . . 74.1 109.381 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.5 tp -122.6 128.89 51.27 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.387 0.613 . . . . 65.04 109.662 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.491 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 5.3 tt0 -109.65 152.49 25.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.883 -1.053 . . . . 75.21 110.437 -174.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.677 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 7.2 tt -137.24 112.88 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.202 0 CA-C-O 121.818 0.818 . . . . 74.33 110.869 173.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.34 26.86 16.06 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.684 1.194 . . . . 71.43 113.439 176.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.29 -20.64 47.81 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 120.927 -0.654 . . . . 33.11 112.907 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 tt -97.75 112.03 24.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.703 -0.851 . . . . 73.14 108.703 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 9.9 p80 -85.06 144.24 28.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.429 -0.508 . . . . 73.44 111.895 -173.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.2 157.09 18.39 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.786 -0.643 . . . . 64.11 109.706 173.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 10.6 p-90 -96.39 -17.77 20.39 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.01 -0.367 . . . . 70.23 110.01 176.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -153.36 140.8 19.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.215 0.606 . . . . 74.04 109.957 -174.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.457 ' O ' ' HA3' ' A' ' 110' ' ' GLY . 49.8 p90 -140.19 153.41 46.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.109 -0.496 . . . . 71.11 110.407 172.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -124.38 143.95 50.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.05 0.452 . . . . 43.24 111.359 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.464 HD22 HD13 ' A' ' 14' ' ' LEU . 49.0 mt -113.48 147.77 37.24 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.599 -1.182 . . . . 74.32 108.941 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -82.53 97.72 8.59 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.604 -0.887 . . . . 71.24 108.604 174.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -72.32 -34.48 68.12 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.207 -0.906 . . . . 72.41 111.914 -171.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -65.05 -39.58 93.49 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.586 0.754 . . . . 70.12 111.05 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.2 tp -78.84 -32.03 45.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 72.11 111.466 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.1 -21.92 56.13 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.991 -0.55 . . . . 72.35 111.821 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.47 -41.25 89.3 Favored 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.322 0.388 . . . . 73.32 110.005 171.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -75.45 -26.91 58.66 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.687 -0.688 . . . . 70.01 111.472 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.96 81.8 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.285 0.634 . . . . 74.43 111.202 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -78.65 -32.3 47.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.703 -0.681 . . . . 73.11 110.643 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.13 -46.65 88.93 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.939 0.896 . . . . 73.33 110.286 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.71 -37.71 85.26 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.373 -0.831 . . . . 71.5 111.029 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.79 74.61 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.053 0.39 . . . . 71.35 112.053 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -79.57 -11.74 59.87 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.28 -0.418 . . . . 73.33 111.805 175.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.8 8.89 35.02 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.046 0.539 . . . . 73.03 111.529 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.8 t70 64.91 30.33 12.04 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 125.044 1.338 . . . . 65.21 111.562 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -117.54 124.33 29.03 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.957 -0.565 . . . . 61.15 109.771 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.26 125.78 14.02 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.632 2.221 . . . . 73.42 111.618 172.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -95.39 136.62 35.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.352 -0.386 . . . . 73.43 110.336 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.421 ' HB1' HD21 ' A' ' 75' ' ' ASN . . . -148.28 137.23 21.8 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.559 -0.746 . . . . 63.23 109.795 173.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.8 p -146.87 150.65 35.66 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 123.737 0.648 . . . . 65.12 110.34 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -99.58 15.43 26.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.23 -0.441 . . . . 71.03 110.79 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -82.64 165.43 20.03 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 107.975 -1.12 . . . . 71.42 107.975 171.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -69.91 150.81 46.36 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 123.333 0.396 . . . . 71.54 110.302 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.0 p -135.42 -13.71 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.941 0.4 . . . . 55.14 111.042 171.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.468 HD23 HD22 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -135.38 126.18 27.39 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.987 -0.375 . . . . 71.25 109.987 -173.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.1 105.81 7.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.537 0.523 . . . . 73.23 109.644 171.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.465 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -101.43 115.27 42.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 110.034 -0.358 . . . . 72.34 110.034 -179.153 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.427 ' OE2' ' HD2' ' A' ' 67' ' ' ARG . 29.2 tt0 -103.8 121.15 42.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.624 -0.716 . . . . 74.51 109.785 176.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.7 t -126.86 129.07 47.52 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 114.995 -1.002 . . . . 65.43 109.013 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.4 mt -79.41 103.79 9.57 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.021 -0.733 . . . . 71.12 109.021 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -105.06 97.84 7.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.17 -1.377 . . . . 62.24 108.499 -176.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.09 -103.77 2.17 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 110.098 -1.201 . . . . 64.42 110.098 -169.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -133.23 23.41 4.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.917 0.865 . . . . 75.41 109.241 171.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -107.78 139.0 43.02 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 113.873 -1.512 . . . . 72.14 110.481 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.427 ' HD2' ' OE2' ' A' ' 60' ' ' GLU . 45.6 mtm105 -86.85 99.29 11.72 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.633 -0.877 . . . . 73.42 108.633 169.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -87.46 116.26 25.44 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.459 -0.941 . . . . 75.21 108.459 -178.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -117.02 129.7 56.19 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.375 -0.83 . . . . 74.45 110.405 -171.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.465 ' HB2' HG23 ' A' ' 59' ' ' VAL . 17.5 m-90 -119.34 125.35 48.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.397 -0.594 . . . . 74.02 109.397 170.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.461 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 55.3 mtt180 -116.55 118.79 33.6 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.694 0.759 . . . . 71.41 111.043 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -105.77 144.2 32.85 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.217 -1.356 . . . . 75.0 109.685 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.3 p -75.86 163.18 27.47 Favored 'General case' 0 N--CA 1.443 -0.78 0 O-C-N 123.909 0.755 . . . . 73.21 109.962 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -63.41 -36.74 84.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.473 -0.785 . . . . 73.55 110.219 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.528 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -58.51 -47.69 83.3 Favored 'General case' 0 C--O 1.221 -0.414 0 O-C-N 123.934 0.771 . . . . 72.35 111.885 174.612 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.09 97.88 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.631 0.582 . . . . 60.44 112.175 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.85 -26.06 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 123.82 0.848 . . . . 64.24 112.663 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -78.93 -36.56 41.55 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 122.095 -0.378 . . . . 70.31 111.629 175.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 75' ' ' ASN . 12.0 mm-40 -77.73 -16.13 58.64 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.904 0.482 . . . . 64.43 111.375 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.91 117.26 1.99 Allowed 'General case' 0 N--CA 1.471 0.61 0 O-C-N 124.425 1.078 . . . . 53.21 113.066 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -84.03 126.72 69.41 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 114.384 -1.28 . . . . 74.21 111.153 -170.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -67.1 122.38 9.68 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 121.966 1.777 . . . . 74.4 111.616 174.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -81.46 176.17 9.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.075 -0.511 . . . . 74.23 110.245 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.77 -16.23 63.6 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.851 1.056 . . . . 71.11 113.851 -171.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -89.09 -20.52 24.21 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.663 0.385 . . . . 73.41 111.863 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.01 -12.36 64.32 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 114.176 0.43 . . . . 53.53 114.176 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -109.79 -23.29 11.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 117.295 0.547 . . . . 73.31 111.665 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.5 m -92.64 145.41 24.45 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.664 -0.495 . . . . 72.12 109.664 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.493 ' CD1' HD13 ' A' ' 10' ' ' LEU . 77.8 m95 -130.22 124.89 33.56 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.608 -0.724 . . . . 72.51 110.194 -176.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.1 ttt-85 -81.32 108.41 14.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.116 -0.698 . . . . 62.24 109.116 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 3.5 mm? -89.62 99.36 12.38 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 108.571 -0.899 . . . . 74.52 108.571 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 t -83.85 116.01 22.54 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-O 121.568 0.699 . . . . 61.1 109.145 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 59.3 p -118.6 -174.45 2.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.318 -0.855 . . . . 52.15 109.482 -177.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.34 -15.08 78.99 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.89 -0.484 . . . . 71.4 111.89 174.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -98.03 -50.31 4.44 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 122.391 0.277 . . . . 71.31 111.577 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 179.37 -160.88 26.55 Favored Glycine 0 C--O 1.224 -0.507 0 C-N-CA 121.43 -0.414 . . . . 73.21 112.564 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 91' ' ' LEU . . . -102.46 135.5 43.98 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 122.678 0.391 . . . . 73.21 110.801 -176.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.563 ' HB3' HD11 ' A' ' 22' ' ' ILE . 89.0 m-85 -130.99 118.86 21.24 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.215 -0.448 . . . . 65.12 110.945 -178.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.677 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 25.7 tt0 -84.4 101.71 12.21 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 116.251 -0.431 . . . . 74.2 111.289 -174.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 28.9 mt -92.43 110.56 21.97 Favored 'General case' 0 C--O 1.212 -0.88 0 N-CA-C 109.215 -0.661 . . . . 71.0 109.215 176.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -110.17 113.64 26.49 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.187 0.518 . . . . 75.32 109.969 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 75.6 m -83.73 122.16 28.27 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.829 -1.078 . . . . 73.42 110.878 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.1 mt -122.3 150.07 42.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.929 -1.032 . . . . 75.4 109.63 -175.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 83.68 169.54 45.23 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.92 -0.657 . . . . 64.12 113.779 176.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.85 78.37 1.67 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.313 0.578 . . . . 74.31 110.845 -176.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.0 t -145.45 128.7 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 N-CA-C 104.647 -2.353 . . . . 74.23 104.647 173.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 71.3 m -57.15 96.57 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 113.855 1.057 . . . . 72.53 113.855 178.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 54.21 103.37 0.01 OUTLIER 'General case' 0 C--N 1.359 0.981 0 O-C-N 125.732 1.895 . . . . 75.2 113.614 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.0 m -109.72 100.24 9.28 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.743 0.783 . . . . 74.04 110.74 176.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 30' ' ' PHE . . . -157.08 -97.9 0.14 Allowed Glycine 0 N--CA 1.441 -0.97 0 CA-C-N 114.991 -1.004 . . . . 62.45 113.112 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 74.2 122.31 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.054 1.742 . . . . 52.1 112.055 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 73.53 118.82 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 126.151 1.78 . . . . 74.31 112.167 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 C--O 1.236 0.347 0 CA-C-N 115.511 -0.768 . . . . 73.5 110.117 -178.532 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 112.477 -0.249 . . . . 74.24 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 p -143.11 111.99 6.5 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 109.152 -0.684 . . . . 71.11 109.152 173.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -66.59 -31.72 72.6 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 123.842 0.714 . . . . 65.45 111.493 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 66.5 mtt -70.77 117.39 12.22 Favored 'General case' 0 CA--C 1.512 -0.483 0 O-C-N 123.949 0.781 . . . . 75.41 109.634 172.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -82.58 -36.01 26.6 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 113.977 -1.465 . . . . 72.33 110.221 -173.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 t -102.2 95.92 6.64 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 122.113 0.958 . . . . 73.05 109.986 168.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -80.24 108.85 14.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.419 -0.81 . . . . 61.21 109.894 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -124.2 76.95 1.51 Allowed 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 108.236 -1.024 . . . . 61.42 108.236 171.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.497 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 90.7 m-85 -98.16 174.3 6.59 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 107.396 -1.335 . . . . 72.01 107.396 171.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.532 HD13 ' CD1' ' A' ' 89' ' ' TRP . 57.6 tp -65.31 -22.26 66.81 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 117.883 0.31 . . . . 72.15 110.851 174.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.2 tp -64.35 -41.3 96.82 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.453 0.701 . . . . 45.3 112.176 173.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -76.72 -27.05 55.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.239 0.542 . . . . 53.34 110.57 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 56.1 mm-40 -77.1 -33.29 56.99 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 115.395 -0.82 . . . . 64.21 112.654 -177.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.411 HD13 HD22 ' A' ' 32' ' ' LEU . 3.4 pp -74.31 -23.52 59.09 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.038 0.381 . . . . 65.3 111.762 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -70.71 -29.93 66.34 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.711 -0.677 . . . . 62.35 111.546 173.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.5 p -113.98 21.14 15.13 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.247 0.462 . . . . 74.13 112.247 -177.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.17 139.98 37.95 Favored 'General case' 0 CA--C 1.514 -0.434 0 O-C-N 122.281 -0.262 . . . . 53.24 110.303 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -103.35 -51.9 3.13 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.666 -0.864 . . . . 73.42 108.666 171.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.5 ttp -105.18 130.28 53.38 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.422 -0.955 . . . . 52.22 108.422 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.6 tp -122.54 120.25 33.26 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.803 -0.814 . . . . 61.24 108.803 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 28.8 tt0 -95.54 140.36 30.49 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.466 -0.788 . . . . 65.24 108.933 -175.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.508 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 14.6 tt -131.22 111.83 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-O 122.04 0.924 . . . . 61.02 111.647 174.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t70 62.8 21.9 13.07 Favored 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 124.771 1.228 . . . . 61.14 111.469 175.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.35 7.64 51.44 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 116.246 -0.434 . . . . 73.32 113.639 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.1 mt -113.45 108.19 16.86 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 117.198 0.499 . . . . 61.33 110.415 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -80.14 116.16 20.1 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.19 0.519 . . . . 75.1 110.688 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.59 135.76 37.34 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.426 -0.806 . . . . 50.31 111.279 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.9 p-90 -82.44 -21.14 35.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.379 -0.828 . . . . 73.11 109.607 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -149.32 135.65 19.21 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.874 -1.057 . . . . 71.1 108.411 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -129.61 150.76 50.79 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.598 -0.728 . . . . 41.42 109.099 171.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -112.39 143.12 44.05 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 114.885 -1.052 . . . . 71.3 109.894 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.411 HD22 HD13 ' A' ' 14' ' ' LEU . 71.5 mt -121.15 145.95 47.28 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.693 -0.685 . . . . 65.43 109.541 177.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -88.85 87.7 7.33 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.77 -1.196 . . . . 73.14 107.77 173.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -74.17 -20.13 60.32 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.435 -0.802 . . . . 75.32 112.674 -174.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -69.36 -43.6 73.28 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.799 0.839 . . . . 73.22 110.137 172.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.5 tp -77.9 -26.7 49.28 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.255 -0.884 . . . . 73.0 111.131 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -82.45 -19.13 39.55 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.284 -0.416 . . . . 73.54 111.811 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -71.02 -37.36 72.61 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.736 -0.839 . . . . 73.13 108.736 170.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -79.26 -24.31 43.07 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.059 -0.973 . . . . 73.43 111.576 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.28 -39.15 68.57 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.066 0.46 . . . . 62.21 111.09 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.19 -35.59 69.01 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 115.204 -0.907 . . . . 72.13 110.397 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 tt -59.84 -29.84 68.54 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.236 1.415 . . . . 71.12 112.021 173.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.14 -39.93 14.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.714 -0.221 . . . . 72.12 110.434 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.93 -33.21 75.29 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 122.815 0.446 . . . . 74.14 111.742 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.89 -22.93 52.68 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.732 -0.667 . . . . 54.51 110.532 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.54 10.39 30.51 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.064 0.546 . . . . 63.4 111.683 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 t70 72.14 16.14 5.32 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.243 1.017 . . . . 73.42 111.473 174.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -110.71 150.47 41.81 Favored Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 123.442 0.697 . . . . 55.44 110.851 -175.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -77.78 134.88 13.83 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 122.387 2.058 . . . . 65.42 111.718 170.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -95.85 134.07 39.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.523 -0.547 . . . . 73.41 109.523 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -140.86 122.09 14.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.873 -0.603 . . . . 61.4 110.072 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 74' ' ' TYR . 22.7 t -142.59 145.82 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 65.31 109.779 177.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -101.38 9.18 41.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.611 -0.268 . . . . 71.22 111.219 175.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -79.44 159.09 27.17 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.383 -0.969 . . . . 64.22 108.383 172.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.6 p-90 -62.35 151.58 36.34 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 123.867 0.729 . . . . 74.4 110.816 -177.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.9 p -136.48 -16.39 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 120.995 0.426 . . . . 64.55 110.811 172.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 1.8 tm? -137.87 125.16 21.75 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.614 -0.513 . . . . 71.01 109.614 -171.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 70' ' ' TRP . . . -136.11 105.84 6.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.938 0.399 . . . . 44.14 111.326 174.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -100.49 124.69 54.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.947 0 CA-C-N 116.611 -0.268 . . . . 73.24 110.569 -176.233 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -108.39 118.55 37.07 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.561 -0.455 . . . . 71.23 111.149 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.1 m -122.54 136.96 55.02 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.41 -0.813 . . . . 71.42 109.59 174.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.527 ' HA ' ' O ' ' A' ' 66' ' ' THR . 9.7 mp -93.97 106.74 18.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.961 -0.563 . . . . 65.54 111.14 177.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' A' ' 66' ' ' THR . 25.0 t70 -94.3 95.88 9.2 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.335 -0.987 . . . . 70.15 108.335 168.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.57 -118.62 4.77 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 109.803 -1.319 . . . . 73.22 109.803 -166.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.0 mmt-85 -116.98 16.2 15.1 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.827 0.823 . . . . 75.41 109.465 168.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.527 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 54.0 m -76.93 100.26 5.52 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.31 -1.314 . . . . 65.01 109.671 171.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.539 ' HD2' ' H ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -93.66 97.31 10.38 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 122.138 0.971 . . . . 73.2 109.009 178.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -110.26 132.01 54.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.741 -0.663 . . . . 54.33 109.831 -174.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.567 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -111.97 134.94 53.21 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.666 0.746 . . . . 71.42 110.474 175.262 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.451 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 22.9 m-90 -103.78 122.14 44.47 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.328 -0.99 . . . . 73.33 108.328 176.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.454 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 62.0 mtm180 -113.92 114.92 26.87 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.347 0.594 . . . . 73.42 110.855 -172.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -110.61 143.24 41.33 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.405 -0.816 . . . . 53.33 110.863 -176.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.0 m -70.92 160.27 33.16 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 124.377 1.048 . . . . 74.31 111.137 176.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.405 ' HB3' ' O ' ' A' ' 52' ' ' SER . 65.2 t80 -61.7 -40.12 93.89 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.479 -0.782 . . . . 75.14 110.707 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.448 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -58.23 -42.76 87.02 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.106 0.879 . . . . 61.5 112.289 174.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.452 ' HB1' HD11 ' A' ' 91' ' ' LEU . . . -67.92 -33.0 73.85 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 124.234 0.959 . . . . 75.02 112.715 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 24.1 t -78.84 -24.5 13.09 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 122.878 0.471 . . . . 71.15 111.385 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.17 -37.47 53.71 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 122.305 -0.247 . . . . 73.25 111.354 174.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 75' ' ' ASN . 11.4 pt-20 -88.76 10.14 21.99 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.665 0.617 . . . . 42.45 112.665 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.35 124.33 19.66 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 123.733 0.645 . . . . 54.23 110.741 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.46 123.09 85.73 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.0 -1.0 . . . . 71.02 111.404 -170.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -69.85 122.85 9.49 Favored 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 122.292 1.995 . . . . 55.22 111.778 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -90.37 170.29 10.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.888 -0.596 . . . . 65.21 110.607 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.22 -5.19 53.75 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.313 -0.858 . . . . 43.15 111.179 173.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -72.49 -24.26 61.15 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.615 -0.72 . . . . 55.3 111.172 173.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.93 -14.94 29.44 Favored Glycine 0 C--N 1.342 0.881 0 N-CA-C 115.447 0.939 . . . . 73.21 115.447 175.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -127.02 -37.79 2.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.168 0.484 . . . . 74.33 110.472 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.6 m -74.17 134.13 42.78 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.042 -0.527 . . . . 65.52 110.791 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.532 ' CD1' HD13 ' A' ' 10' ' ' LEU . 63.4 m95 -115.96 147.32 41.29 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 107.65 -1.241 . . . . 74.13 107.65 172.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -103.27 114.02 27.97 Favored 'General case' 0 N--CA 1.432 -1.331 0 C-N-CA 119.668 -0.813 . . . . 75.01 110.377 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.452 HD11 ' HB1' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -88.99 99.76 12.67 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 107.269 -1.382 . . . . 75.03 107.269 -179.089 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.1 t -85.65 130.88 34.46 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.109 -0.951 . . . . 52.32 109.353 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.7 p -134.89 -177.23 4.53 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.578 -0.737 . . . . 63.2 110.078 -175.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -79.67 -13.05 82.94 Favored Glycine 0 C--N 1.334 0.452 0 N-CA-C 111.634 -0.586 . . . . 61.31 111.634 170.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -81.77 -46.4 14.28 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.252 -0.648 . . . . 70.1 109.252 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.75 -110.25 0.36 Allowed Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.921 -0.581 . . . . 63.34 111.83 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -155.63 131.93 10.21 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 123.506 0.722 . . . . 73.21 110.256 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -118.66 125.09 48.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.999 -1.001 . . . . 62.53 108.45 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 42.2 tt0 -84.31 100.4 11.22 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.235 -0.586 . . . . 71.41 110.549 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.499 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 20.8 mt -93.7 107.96 19.76 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.038 -0.356 . . . . 74.24 110.038 176.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -112.63 120.48 41.72 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 121.517 0.675 . . . . 75.33 110.063 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.64 116.39 22.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.542 -1.208 . . . . 72.51 111.409 -177.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 79.6 mt -123.33 163.18 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.85 -1.068 . . . . 62.42 110.796 -174.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.01 -48.49 1.0 Allowed Glycine 0 N--CA 1.446 -0.691 0 CA-C-O 119.532 -0.593 . . . . 63.42 113.71 172.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 64.95 30.92 11.71 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.652 1.181 . . . . 72.4 112.52 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.7 t -122.46 121.33 63.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 N-CA-C 106.575 -1.639 . . . . 63.41 106.575 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.5 m -55.28 112.0 0.99 Allowed 'General case' 0 C--N 1.314 -0.976 0 O-C-N 124.688 1.242 . . . . 72.02 112.612 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -130.25 142.12 50.58 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.011 -0.54 . . . . 54.03 111.108 -177.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.6 m -116.77 138.04 51.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.124 -0.944 . . . . 64.1 110.015 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -109.54 95.52 0.89 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.863 -0.684 . . . . 60.44 112.162 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -74.18 106.84 6.02 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 122.726 0.41 . . . . 60.3 111.101 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.3 130.16 35.17 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.437 0.637 . . . . 74.35 111.374 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 C--O 1.242 0.674 0 CA-C-O 118.115 -0.945 . . . . 73.44 110.237 -178.363 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 112.5 -0.24 . . . . 53.42 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 m -127.0 128.06 45.78 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 110.106 -0.331 . . . . 71.52 110.106 172.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -88.4 -25.53 22.63 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.286 -0.635 . . . . 74.25 109.286 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 67.9 mtt -66.64 132.15 47.53 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.693 -0.484 . . . . 72.51 109.693 175.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 p -58.25 -55.7 31.58 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 124.445 1.09 . . . . 73.23 110.644 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.25 13.2 t 41.8 54.65 3.84 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.373 1.869 . . . . 64.25 114.588 173.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -83.22 81.13 8.83 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 122.136 0.97 . . . . 73.12 108.879 169.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -113.27 60.4 0.65 Allowed 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 114.657 -1.156 . . . . 72.45 108.48 -173.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.46 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 32.8 m-85 -73.63 169.98 16.17 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.26 -1.336 . . . . 73.43 107.513 172.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.426 HD13 ' CD1' ' A' ' 89' ' ' TRP . 56.3 tp -58.11 -26.74 63.0 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.501 0.556 . . . . 60.14 112.501 -177.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.402 HD11 ' CD2' ' A' ' 37' ' ' LEU . 21.3 tp -62.4 -47.67 83.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.646 0.592 . . . . 60.15 112.247 174.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.05 -30.81 70.99 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.608 0.363 . . . . 74.35 110.924 176.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 18.2 mm-40 -73.02 -37.63 66.87 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 112.873 0.694 . . . . 75.45 112.873 -176.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.502 HD13 HD22 ' A' ' 32' ' ' LEU . 2.8 pp -75.71 -21.76 57.24 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.361 0.504 . . . . 73.21 112.361 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -79.44 -29.24 41.74 Favored 'General case' 0 C--N 1.332 -0.166 0 O-C-N 123.418 0.449 . . . . 75.15 111.397 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 p -101.12 9.67 41.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 74.15 111.556 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.94 139.03 31.9 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.065 0.46 . . . . 41.34 111.105 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.516 ' HB3' ' O ' ' A' ' 106' ' ' VAL . 10.9 m-20 -93.77 -31.37 14.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.93 -1.032 . . . . 50.11 109.281 173.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.5 ttp -135.21 138.74 43.91 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 114.191 -1.368 . . . . 61.44 108.674 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.3 tp -131.84 116.05 16.72 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.116 -0.633 . . . . 72.33 110.467 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -99.5 146.07 26.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.209 -0.905 . . . . 64.14 109.573 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.457 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.8 tt -136.42 112.02 11.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-O 121.738 0.78 . . . . 73.13 111.805 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 65.04 21.39 12.25 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.116 1.366 . . . . 72.24 111.622 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.08 -23.5 35.46 Favored Glycine 0 C--N 1.346 1.117 0 CA-C-N 116.156 -0.474 . . . . 74.22 112.654 -174.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 tt -81.65 127.1 32.54 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.427 -0.953 . . . . 71.33 108.427 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -88.51 124.69 34.25 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.36 -0.382 . . . . 53.24 110.921 -174.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.421 ' HA ' ' OG ' ' A' ' 61' ' ' SER . . . -77.31 129.49 35.93 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.722 -0.672 . . . . 63.34 109.681 174.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.1 p-90 -72.52 -27.99 62.58 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 109.525 -0.546 . . . . 54.24 109.525 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.2 ptt85 -152.62 169.16 23.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.6 -0.727 . . . . 54.45 109.741 173.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -141.66 159.96 41.15 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.116 -0.698 . . . . 74.43 109.116 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -138.02 139.19 39.5 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 109.136 -0.69 . . . . 64.42 109.136 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.502 HD22 HD13 ' A' ' 14' ' ' LEU . 88.9 mt -120.43 143.46 48.46 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.449 -0.341 . . . . 63.22 110.989 -174.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.543 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 33.4 t-20 -86.9 90.51 8.35 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.033 -0.729 . . . . 71.22 109.033 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -74.38 -25.99 59.83 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.779 0.832 . . . . 74.11 111.875 -175.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -61.99 -45.99 91.2 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.085 0.866 . . . . 74.54 110.948 171.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.5 tp -75.82 -24.74 55.89 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.277 -0.42 . . . . 52.24 111.308 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 47.1 mt -78.36 -25.21 46.25 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.259 0.466 . . . . 71.13 112.259 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.51 -43.9 88.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.706 0.629 . . . . 71.14 110.231 170.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -74.08 -31.48 62.85 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.709 0.631 . . . . 71.54 111.341 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.99 -43.72 78.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.019 -0.991 . . . . 71.04 111.569 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -73.07 -33.01 65.38 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 124.037 0.836 . . . . 61.22 110.586 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.6 tt -57.31 -46.48 83.15 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.819 1.247 . . . . 71.01 110.979 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.43 -39.32 59.05 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.835 -0.621 . . . . 34.33 111.166 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.35 -28.83 67.48 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.935 0.717 . . . . 65.22 112.935 -177.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -77.7 -15.71 58.97 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 122.803 0.441 . . . . 71.24 111.336 174.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.11 6.27 49.2 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.271 -0.422 . . . . 71.45 111.252 174.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 t70 72.78 4.71 5.05 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 125.939 1.695 . . . . 74.35 111.771 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -88.99 125.89 60.94 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.376 -0.602 . . . . 71.11 109.376 -176.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -66.39 124.22 12.2 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 121.868 1.712 . . . . 62.33 112.227 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -96.21 133.02 41.04 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.74 -0.837 . . . . 72.42 108.74 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.07 117.89 8.17 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.226 -0.657 . . . . 70.33 109.226 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.2 p -138.5 142.79 39.36 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.782 -0.451 . . . . 73.53 109.782 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -95.05 13.49 24.97 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.841 -0.344 . . . . 63.42 111.927 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.17 153.66 31.85 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.161 -1.051 . . . . 63.2 108.161 170.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 8.4 p-90 -60.85 150.28 33.41 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.262 0.977 . . . . 63.33 111.074 -177.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.0 p -131.34 -23.73 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.905 0.383 . . . . 63.14 110.716 174.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.8 tp -142.34 122.29 13.63 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.061 0.458 . . . . 73.34 110.998 -173.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.82 107.48 14.18 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.337 -0.847 . . . . 63.44 109.454 172.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -99.35 108.55 22.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.155 -0.683 . . . . 63.3 109.155 -179.145 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -100.71 128.33 46.8 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.495 -0.775 . . . . 72.14 109.736 -172.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 27' ' ' ALA . 22.2 m -127.45 131.23 50.25 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.163 -0.926 . . . . 74.03 109.74 176.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.1 mt -96.62 106.35 18.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.532 -0.914 . . . . 74.33 108.532 172.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.424 ' O ' HG22 ' A' ' 66' ' ' THR . 30.4 t70 -104.64 97.69 7.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.815 -0.63 . . . . 62.21 109.629 -174.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.83 -96.71 1.08 Allowed Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.088 -0.96 . . . . 53.41 110.705 -170.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -136.26 21.32 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.74 0.416 . . . . 72.14 110.849 174.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 63' ' ' ASP . 6.7 t -104.45 141.74 35.82 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.235 0.541 . . . . 70.43 110.108 174.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -97.93 108.36 21.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.986 -0.746 . . . . 71.04 108.986 175.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -123.49 114.34 19.96 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-O 121.572 0.701 . . . . 71.53 110.146 177.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.75 137.32 52.28 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.764 -1.107 . . . . 70.2 109.432 175.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.402 ' HB2' HG23 ' A' ' 59' ' ' VAL . 21.4 m-90 -103.2 122.03 43.89 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.407 -0.96 . . . . 74.44 108.407 176.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -107.34 109.91 21.78 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.284 -0.871 . . . . 73.32 108.985 -177.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -103.95 139.79 38.62 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 115.198 -0.91 . . . . 74.41 109.604 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.457 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 37.3 p -76.02 163.23 27.35 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 124.327 1.017 . . . . 74.15 110.58 177.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -62.29 -33.25 74.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.9 -1.046 . . . . 73.12 110.116 173.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -66.98 -37.66 84.64 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 124.682 1.193 . . . . 53.25 111.524 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.44 -38.18 74.48 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.662 0.601 . . . . 61.52 111.986 177.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.3 t -71.76 -27.04 26.81 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 CA-C-N 115.583 -0.735 . . . . 61.1 111.476 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.33 -46.14 74.34 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 122.586 0.354 . . . . 63.3 111.83 174.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -90.37 6.98 40.88 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.604 0.594 . . . . 75.14 112.604 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.93 121.1 14.78 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.859 0.464 . . . . 74.31 111.169 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -78.94 128.74 75.54 Favored Pre-proline 0 N--CA 1.463 0.218 0 CA-C-N 115.308 -0.86 . . . . 64.25 112.244 -169.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -71.91 113.31 3.63 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.611 2.207 . . . . 52.34 112.003 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -74.52 159.09 32.68 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.271 -0.422 . . . . 71.12 110.359 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.2 -5.09 33.3 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.82 -0.627 . . . . 73.41 111.709 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -73.16 -24.78 60.61 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.399 1.08 . . . . 53.43 111.159 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.5 -14.34 35.91 Favored Glycine 0 C--N 1.343 0.929 0 N-CA-C 115.02 0.768 . . . . 42.34 115.02 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 23.3 mt-10 -116.83 -26.52 6.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.943 0.871 . . . . 64.11 110.487 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.4 m -95.58 146.02 24.78 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.336 -0.847 . . . . 62.25 111.75 -170.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.426 ' CD1' HD13 ' A' ' 10' ' ' LEU . 73.4 m95 -133.91 147.18 51.08 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.094 -0.957 . . . . 74.32 110.138 -177.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -96.57 112.24 24.06 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 116.624 -0.262 . . . . 73.31 111.545 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.26 97.42 9.14 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.01 -1.108 . . . . 64.45 108.01 168.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.24 97.78 8.25 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 122.684 1.231 . . . . 74.53 109.148 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.5 p -118.26 176.89 5.02 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.931 -1.486 . . . . 55.21 109.879 -172.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.89 -16.3 80.12 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.759 -0.537 . . . . 72.23 111.759 173.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -71.82 -43.0 66.35 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.473 0.709 . . . . 60.44 109.216 169.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.14 -174.41 34.71 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.876 -0.602 . . . . 30.04 112.019 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.25 122.72 38.23 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 123.072 0.549 . . . . 64.24 110.563 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.423 ' HB3' HD11 ' A' ' 22' ' ' ILE . 85.1 m-85 -130.39 131.29 45.22 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.627 -0.715 . . . . 74.24 110.554 -173.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 40.5 tt0 -95.3 102.77 14.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.361 -0.381 . . . . 74.34 110.862 -177.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.2 mt -91.59 123.25 34.85 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-O 121.255 0.55 . . . . 75.45 110.511 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 66.6 ttt180 -125.39 118.69 26.44 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.597 -0.729 . . . . 75.22 110.043 -176.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 2.0 p -83.04 124.35 30.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.398 -1.274 . . . . 43.32 111.105 -177.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.7 mt -127.61 149.9 49.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.639 -0.71 . . . . 75.1 109.966 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.75 76.73 0.39 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.539 -0.838 . . . . 65.14 113.676 -175.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -155.62 19.5 0.4 Allowed 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.844 0.683 . . . . 45.21 112.844 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.516 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 76.0 t -128.29 97.71 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.816 0.817 . . . . 73.53 110.457 -175.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.8 t -138.65 14.05 2.73 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.435 -0.802 . . . . 74.23 110.781 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 59.56 29.37 18.93 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.94 1.296 . . . . 62.25 113.302 175.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.2 t -59.47 126.59 28.24 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.012 0.82 . . . . 72.42 112.107 -171.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 128.25 -55.42 0.76 Allowed Glycine 0 C--O 1.224 -0.53 0 N-CA-C 108.558 -1.817 . . . . 72.45 108.558 -166.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -92.51 -39.37 11.42 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 107.95 -1.13 . . . . 54.33 107.95 166.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.3 t70 75.76 -96.21 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 126.721 2.008 . . . . 71.33 112.141 168.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.47 0.539 0 CA-C-N 118.807 0.73 . . . . 72.43 111.5 177.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.36 0 N-CA-C 112.074 -0.411 . . . . 65.31 112.074 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 t -89.62 127.63 35.93 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.13 0.491 . . . . 71.3 110.288 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -90.88 -3.68 57.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.887 -0.597 . . . . 74.44 110.194 172.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 61.0 mtm -84.97 101.53 12.44 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.738 0.78 . . . . 74.24 109.986 172.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.427 ' HB ' ' OE1' ' A' ' 111' ' ' GLU . 1.4 m -90.74 -22.62 20.99 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.329 -1.305 . . . . 72.44 108.895 176.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.7 m -90.72 41.06 1.04 Allowed 'General case' 0 CA--C 1.553 1.096 0 CA-C-O 122.812 1.291 . . . . 74.15 108.559 166.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -74.86 -23.01 58.35 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.304 -0.862 . . . . 65.02 109.001 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.427 ' O ' ' HH2' ' A' ' 89' ' ' TRP . 30.9 mmm-85 58.46 95.94 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.394 1.878 . . . . 74.02 112.116 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -93.4 -175.6 3.86 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 112.642 -2.072 . . . . 72.24 107.537 172.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.426 HD21 HD13 ' A' ' 100' ' ' LEU . 52.2 tp -79.38 -11.93 59.92 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 119.974 -0.69 . . . . 72.15 109.685 168.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.1 tp -68.64 -46.36 69.41 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 122.817 0.447 . . . . 63.01 111.226 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.13 -20.05 45.85 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 121.233 -0.187 . . . . 70.43 111.179 176.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -83.56 -19.17 36.09 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 113.777 1.029 . . . . 44.45 113.777 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.75 -24.85 41.27 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.627 0.649 . . . . 53.4 109.876 169.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -71.53 -40.11 70.31 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 115.309 -0.859 . . . . 70.21 111.764 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.452 ' HA ' ' OG ' ' A' ' 107' ' ' SER . 44.7 p -83.89 -17.76 39.7 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 112.188 0.44 . . . . 74.23 112.188 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 119.05 7.44 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 113.269 0.841 . . . . 73.0 113.269 -174.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -86.08 -35.51 20.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.484 -0.932 . . . . 75.35 108.484 170.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.471 ' HB3' ' HB2' ' A' ' 103' ' ' LEU . 7.3 ttm -135.49 150.47 49.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.775 -1.102 . . . . 62.42 108.132 174.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.5 mt -123.72 127.08 47.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.111 0.481 . . . . 63.12 110.492 175.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 32.3 tt0 -112.03 149.02 32.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.288 -0.869 . . . . 63.13 110.587 -175.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.565 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 2.4 tt -137.49 118.45 17.3 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 CA-C-O 121.84 0.829 . . . . 72.33 111.085 175.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 62.86 26.48 15.59 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.26 1.424 . . . . 64.44 112.864 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.67 8.55 65.45 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 121.539 -0.362 . . . . 73.33 112.849 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 tt -125.83 110.69 13.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.082 -1.081 . . . . 73.12 108.082 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 4.1 p-80 -89.3 140.22 29.71 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.772 1.027 . . . . 72.02 113.772 -174.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.89 146.82 29.62 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 113.713 -1.585 . . . . 55.41 110.741 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 47.3 p-90 -84.45 -26.1 28.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.789 -0.641 . . . . 73.55 110.454 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -142.08 136.41 30.11 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.964 -0.562 . . . . 64.25 109.571 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -134.76 158.76 43.33 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.023 -0.99 . . . . 70.24 109.787 171.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -129.33 145.91 51.3 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.621 0.576 . . . . 53.31 109.765 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.0 mt -115.76 143.63 45.12 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.158 -1.053 . . . . 75.35 108.158 176.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.548 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 45.9 t-20 -85.73 92.07 8.49 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.617 -0.883 . . . . 74.5 108.617 176.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -72.58 -26.28 61.65 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.874 0.734 . . . . 73.33 112.054 -176.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -66.6 -39.27 88.31 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 123.996 0.81 . . . . 65.55 110.84 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.5 tp -81.32 -25.49 36.4 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.963 -0.562 . . . . 72.54 111.011 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 81.3 mt -78.31 -23.62 47.0 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.304 0.377 . . . . 74.31 111.655 176.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 27.4 t70 -65.18 -41.96 94.08 Favored 'General case' 0 C--O 1.223 -0.296 0 O-C-N 124.218 0.949 . . . . 63.25 110.002 171.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -79.12 -28.08 42.9 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 124.201 0.938 . . . . 71.24 111.4 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.83 -36.96 70.37 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.49 0.494 . . . . 61.34 111.014 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -79.95 -31.05 39.96 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.341 -0.845 . . . . 64.24 110.197 178.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 38' ' ' ASP . 3.6 tt -61.9 -42.7 99.39 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.968 0.907 . . . . 72.14 109.854 173.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.65 81.27 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 115.25 -0.886 . . . . 31.02 111.482 176.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.32 83.72 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 111.962 0.356 . . . . 72.01 111.962 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.68 -27.33 63.94 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.902 0.481 . . . . 74.13 111.921 175.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.33 5.52 51.28 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.815 0.446 . . . . 62.52 112.026 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 t70 61.44 35.14 17.83 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 122.783 1.277 . . . . 54.24 111.126 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -106.32 136.73 19.32 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.106 -0.952 . . . . 73.54 109.569 177.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -72.8 124.61 9.84 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.14 1.893 . . . . 65.05 111.148 171.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -105.49 114.44 28.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 75.05 110.75 -174.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -128.57 118.61 23.29 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.795 -0.639 . . . . 54.24 109.972 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 p -134.89 146.04 48.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.099 0.476 . . . . 71.34 111.222 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -98.18 10.44 40.55 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.48 -0.782 . . . . 64.45 111.543 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -79.29 166.54 22.02 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.676 -0.861 . . . . 52.43 108.676 174.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.1 p-90 -70.52 152.31 44.13 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 109.964 -0.384 . . . . 61.14 109.964 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.71 -20.88 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-O 121.128 0.49 . . . . 61.34 111.086 170.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.47 125.12 28.29 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.173 -0.677 . . . . 75.11 109.173 -173.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.48 108.4 9.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.823 0.344 . . . . 64.25 110.896 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.413 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.4 OUTLIER -106.45 131.33 56.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.258 -0.645 . . . . 41.33 109.258 177.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -132.05 132.6 43.51 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.6 0.714 . . . . 71.52 110.534 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.3 t -132.4 157.11 45.37 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.387 -0.824 . . . . 72.22 111.009 -174.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.0 mt -103.68 108.85 20.32 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.618 -0.719 . . . . 72.22 110.302 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -110.81 100.43 9.17 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.965 0.888 . . . . 75.21 110.137 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.97 -99.49 2.23 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.398 -0.819 . . . . 44.35 111.332 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -128.88 10.05 5.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.904 0.859 . . . . 72.52 109.471 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -100.31 139.05 36.54 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.66 -1.155 . . . . 73.15 110.732 -173.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -108.53 103.51 12.64 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.804 -0.634 . . . . 73.3 109.323 174.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.4 ttm105 -109.4 125.56 52.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.995 -0.548 . . . . 72.1 110.772 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -116.5 134.58 54.69 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.68 -0.691 . . . . 55.31 111.046 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.413 ' HB2' HG23 ' A' ' 59' ' ' VAL . 16.5 m-90 -111.35 124.25 51.86 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.716 -1.129 . . . . 74.44 108.545 173.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -117.34 122.92 45.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.434 0.635 . . . . 65.22 110.401 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -114.97 141.8 47.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.871 -1.058 . . . . 73.02 110.688 -174.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 55.7 m -76.8 165.58 24.51 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 124.401 1.063 . . . . 61.02 110.676 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -68.06 -34.15 75.9 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.875 -0.602 . . . . 74.01 111.012 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -39.68 88.9 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 124.007 0.817 . . . . 74.41 111.784 173.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.8 -31.57 69.55 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.741 0.651 . . . . 74.44 112.022 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.6 t -82.69 -23.81 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-O 121.02 0.438 . . . . 75.43 111.28 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 24.1 mmt -75.82 -36.6 59.62 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.461 -0.336 . . . . 73.12 110.955 174.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -85.62 2.88 43.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 123.613 0.57 . . . . 73.02 112.238 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.03 114.16 2.7 Favored 'General case' 0 C--O 1.242 0.693 0 O-C-N 123.803 0.689 . . . . 74.43 111.023 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 90' ' ' ARG . 37.2 mt-10 -87.11 131.99 42.97 Favored Pre-proline 0 CA--C 1.512 -0.515 0 CA-C-N 114.956 -1.02 . . . . 63.35 110.5 -172.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -64.5 134.7 42.53 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.227 1.951 . . . . 53.25 111.472 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -101.36 160.88 14.04 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 108.446 -0.946 . . . . 73.32 108.446 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.73 -5.76 45.09 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.026 0.441 . . . . 74.53 111.504 176.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -73.75 -24.69 59.92 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.89 0.876 . . . . 73.41 110.95 172.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.39 -14.31 23.51 Favored Glycine 0 C--N 1.344 1.021 0 N-CA-C 115.137 0.815 . . . . 72.31 115.137 175.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -116.83 -40.11 3.19 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 117.436 0.618 . . . . 75.15 110.365 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.5 m -80.57 147.04 30.95 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.892 -0.594 . . . . 24.32 111.325 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.427 ' HH2' ' O ' ' A' ' 8' ' ' ARG . 83.9 m95 -130.66 144.15 51.23 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.513 -0.767 . . . . 74.53 109.238 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.419 ' HB3' ' HB2' ' A' ' 81' ' ' GLU . 32.3 ttt180 -88.07 97.23 10.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.48 0.657 . . . . 73.33 109.865 177.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.8 99.38 12.43 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.555 -1.202 . . . . 73.24 108.426 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 p -92.8 130.34 38.44 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.324 0.583 . . . . 62.31 110.356 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.2 p -129.52 -178.51 4.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.916 -1.038 . . . . 72.03 110.716 -176.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.49 -5.46 89.84 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 115.7 -0.682 . . . . 73.21 111.672 169.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -92.76 -13.29 29.46 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.291 0.636 . . . . 74.31 110.675 175.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 137.21 -112.09 0.9 Allowed Glycine 0 C--N 1.34 0.757 0 N-CA-C 111.23 -0.748 . . . . 73.52 111.23 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -157.67 147.04 19.91 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.872 0.469 . . . . 32.15 109.857 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -133.22 147.81 52.0 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.328 -0.99 . . . . 75.22 108.328 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.565 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 13.2 tt0 -94.38 100.09 12.18 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.415 -0.587 . . . . 64.23 109.415 176.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.426 HD13 HD21 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -93.57 109.95 21.56 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.782 -0.822 . . . . 74.25 108.782 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -110.27 120.7 43.29 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.691 -0.686 . . . . 74.33 109.34 -175.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 3.8 p -82.78 120.31 25.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.364 0.602 . . . . 73.14 110.563 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 20.7 mt -107.47 141.31 39.08 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.208 -0.905 . . . . 74.24 111.126 -174.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 93.92 -74.77 1.1 Allowed Glycine 0 N--CA 1.438 -1.197 0 CA-C-N 114.968 -1.014 . . . . 64.12 112.886 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 59.37 32.23 21.68 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.821 1.248 . . . . 72.04 111.843 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.1 t -97.61 87.86 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 121.973 0.892 . . . . 71.1 109.755 -176.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.452 ' OG ' ' HA ' ' A' ' 16' ' ' THR . 5.1 p -176.66 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 112.834 -1.985 . . . . 54.22 107.33 175.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.4 15.36 9.88 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 125.709 1.604 . . . . 72.02 114.235 165.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.0 m -106.39 85.49 2.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.57 0.7 . . . . 72.42 111.353 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -113.62 -51.61 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 114.992 -1.003 . . . . 70.34 111.39 172.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.427 ' OE1' ' HB ' ' A' ' 5' ' ' THR . 19.6 tt0 -107.58 33.35 4.09 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 121.926 0.87 . . . . 74.12 108.768 172.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -89.44 99.72 12.66 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 121.301 -0.874 . . . . 64.0 108.781 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 . . . . . 0 C--O 1.241 0.617 0 CA-C-N 114.494 -1.23 . . . . 72.23 110.924 -172.592 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.247 0 N-CA-C 112.061 -0.415 . . . . 73.11 112.061 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 p -82.79 -29.1 29.83 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 123.027 0.531 . . . . 64.5 111.937 -176.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -88.57 86.94 7.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.729 0.776 . . . . 62.32 110.276 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.5 ttt -149.74 142.83 24.97 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 114.088 -1.415 . . . . 73.03 107.454 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.8 p -80.11 -80.98 0.13 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 118.656 -0.688 . . . . 71.4 109.202 172.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.4 t 38.51 33.48 0.07 Allowed 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 126.439 1.895 . . . . 70.32 114.415 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -91.92 -4.28 54.9 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 121.451 -0.78 . . . . 74.12 111.269 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.3 mtm105 62.43 71.78 0.52 Allowed 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 124.808 1.317 . . . . 74.13 109.86 -168.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.445 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 72.3 m-85 -74.07 168.54 19.33 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.057 -1.09 . . . . 72.35 108.057 168.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.504 HD13 ' CD1' ' A' ' 89' ' ' TRP . 56.6 tp -62.42 -25.97 68.24 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 118.142 0.428 . . . . 75.4 111.271 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.0 -49.51 75.77 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.609 -0.723 . . . . 74.52 111.163 171.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -63.8 -33.64 76.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.627 0.771 . . . . 73.3 111.338 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 15.9 mm-40 -66.28 -45.83 79.1 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 114.762 -1.108 . . . . 74.34 112.379 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.589 HD13 HD22 ' A' ' 32' ' ' LEU . 2.7 pp -74.53 -22.02 59.24 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.98 0.733 . . . . 73.15 112.98 -174.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.84 -21.87 59.03 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.542 0.526 . . . . 71.13 112.247 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.0 p -117.06 17.21 14.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.787 0.327 . . . . 52.05 111.558 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.62 155.75 19.04 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.263 0.554 . . . . 34.11 112.031 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -123.12 -46.91 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.164 -0.925 . . . . 53.23 108.916 174.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.566 ' HG3' ' HB2' ' A' ' 103' ' ' LEU . 4.3 ptm -121.15 129.9 53.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.199 -0.91 . . . . 74.21 110.103 179.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.03 152.53 35.34 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.48 -0.488 . . . . 63.0 110.195 -178.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -129.05 148.51 51.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 75.45 110.612 177.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.555 HD11 HG21 ' A' ' 59' ' ' VAL . 13.6 mt -124.58 98.03 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 114.818 -1.083 . . . . 60.33 108.967 170.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 t70 58.56 36.47 25.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.535 1.134 . . . . 62.04 111.289 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.69 -22.78 35.84 Favored Glycine 0 CA--C 1.524 0.608 0 CA-C-N 115.734 -0.666 . . . . 64.03 113.486 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 tt -77.68 113.93 16.02 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 107.693 -1.225 . . . . 73.55 107.693 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -65.96 121.83 15.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.649 -0.705 . . . . 73.31 111.192 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' HA ' ' OG ' ' A' ' 61' ' ' SER . . . -83.2 112.32 19.75 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.972 -1.122 . . . . 64.14 107.972 168.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -75.44 -21.68 57.95 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.929 0.395 . . . . 72.45 111.286 -171.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -146.58 152.73 39.41 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 109.09 -0.707 . . . . 43.31 109.09 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -143.56 158.78 43.39 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.174 0.511 . . . . 75.45 109.843 167.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -135.22 140.32 45.18 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.573 -0.899 . . . . 72.32 108.573 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.589 HD22 HD13 ' A' ' 14' ' ' LEU . 41.2 mt -111.7 149.62 31.35 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.767 -0.651 . . . . 72.53 109.877 -177.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.521 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.6 t-20 -82.86 89.95 6.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.014 -1.106 . . . . 61.25 108.014 172.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -71.37 -28.43 64.04 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.0 0.92 . . . . 71.25 111.503 -173.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -65.11 -42.21 94.19 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 124.222 0.951 . . . . 63.54 110.59 175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.1 tp -77.81 -26.22 49.42 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.086 0.554 . . . . 71.53 111.225 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 67.4 mt -81.86 -23.71 36.2 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.231 -0.441 . . . . 73.44 111.764 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -65.8 -40.11 91.59 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 108.996 -0.742 . . . . 63.24 108.996 171.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -73.21 -28.1 61.99 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 114.83 -1.077 . . . . 63.0 111.409 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.77 -17.64 57.3 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.777 0.323 . . . . 75.43 111.424 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -89.59 -41.52 11.94 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.042 -1.095 . . . . 71.31 108.042 -175.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.6 mt -61.82 -38.44 88.16 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 112.701 -2.045 . . . . 74.44 111.853 170.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.42 -38.91 78.1 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.056 -0.52 . . . . 64.13 111.407 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.46 -35.57 80.89 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.39 0.431 . . . . 65.11 111.677 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -74.81 -23.32 58.46 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 115.686 -0.688 . . . . 64.13 112.112 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.94 4.96 53.03 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.549 0.339 . . . . 74.01 111.852 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.8 t70 69.56 21.38 6.74 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.455 1.502 . . . . 72.11 112.061 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -103.38 120.04 53.12 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 115.811 -0.632 . . . . 53.43 109.886 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.58 125.22 15.66 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.17 1.914 . . . . 63.2 110.272 167.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -92.72 128.11 38.47 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.73 -0.47 . . . . 72.13 109.73 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.25 120.15 18.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.736 -0.666 . . . . 74.23 109.61 176.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.2 t -131.32 145.81 52.02 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.741 -0.663 . . . . 72.42 109.681 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -102.29 15.85 27.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.875 0.369 . . . . 73.03 110.866 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.79 -176.98 6.46 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.8 -0.815 . . . . 62.52 108.8 173.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -81.54 156.22 25.35 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 109.627 -0.508 . . . . 74.1 109.627 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 p -137.91 -26.75 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 120.378 -0.529 . . . . 74.24 111.855 172.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -138.49 113.78 9.5 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.39 0.614 . . . . 63.13 110.149 -169.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.27 105.86 13.03 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.153 -0.93 . . . . 64.21 109.245 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.555 HG21 HD11 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -101.96 120.97 52.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.351 -0.841 . . . . 74.41 110.619 -176.516 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -107.67 132.36 53.42 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.341 -0.845 . . . . 54.5 109.851 -178.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.45 ' OG ' ' HA ' ' A' ' 27' ' ' ALA . 20.0 m -127.09 144.37 51.05 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.328 -0.851 . . . . 70.32 109.813 176.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -101.44 105.25 16.24 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.918 0.866 . . . . 74.32 108.88 172.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.505 ' O ' ' HB ' ' A' ' 66' ' ' THR . 33.7 t70 -105.64 97.75 7.54 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.213 -1.358 . . . . 74.52 110.246 -170.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.78 -100.69 2.1 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.473 -1.051 . . . . 73.31 110.473 -174.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -132.4 27.93 4.39 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 122.135 0.969 . . . . 72.51 109.152 166.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.505 ' HB ' ' O ' ' A' ' 63' ' ' ASP . 5.4 m -109.58 135.52 50.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.098 -1.41 . . . . 71.51 110.27 -176.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -98.89 102.84 14.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.239 -0.652 . . . . 71.34 109.239 176.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -119.2 128.49 54.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.414 -0.812 . . . . 75.12 110.861 -172.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.69 149.28 50.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.454 0.645 . . . . 71.2 111.878 -177.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 -122.98 127.36 48.73 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.206 -0.907 . . . . 74.43 109.083 175.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -107.96 116.05 31.24 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.622 -0.51 . . . . 74.12 109.622 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -103.83 141.57 35.89 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.987 -0.745 . . . . 71.01 108.987 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.9 m -75.98 161.97 28.47 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.184 -0.916 . . . . 43.44 110.723 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.428 ' O ' ' HG2' ' A' ' 78' ' ' MET . 43.7 t80 -60.69 -40.67 93.06 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.0 -1.0 . . . . 74.23 109.923 174.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -46.33 90.57 Favored 'General case' 0 C--O 1.221 -0.439 0 O-C-N 124.206 0.941 . . . . 63.43 112.064 177.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.75 -44.12 97.52 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 124.146 0.904 . . . . 72.23 111.965 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.7 t -62.83 -36.37 75.22 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 124.01 0.924 . . . . 35.22 112.681 177.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 74' ' ' TYR . 98.3 mmm -76.36 -35.98 58.42 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.377 0.51 . . . . 73.52 112.377 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -92.58 6.13 48.4 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 111.911 0.337 . . . . 72.12 111.911 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.56 128.53 36.44 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.668 -0.696 . . . . 75.43 110.569 174.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.0 123.95 86.14 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.111 -0.95 . . . . 71.45 111.522 -170.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -69.4 118.94 5.99 Favored 'Trans proline' 0 C--N 1.358 1.067 0 C-N-CA 122.24 1.96 . . . . 52.43 111.505 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -79.51 161.61 25.92 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.652 -0.869 . . . . 71.11 108.652 177.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.65 -13.52 62.35 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.262 0.467 . . . . 63.32 112.262 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -67.08 -25.37 66.2 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.473 1.109 . . . . 63.41 111.214 172.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.65 -12.93 31.91 Favored Glycine 0 C--N 1.345 1.05 0 N-CA-C 114.923 0.729 . . . . 51.13 114.923 174.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -117.97 -27.68 6.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.156 0.478 . . . . 74.34 110.874 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.3 m -92.55 147.12 23.14 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.021 -0.536 . . . . 73.01 110.579 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.504 ' CD1' HD13 ' A' ' 10' ' ' LEU . 74.7 m95 -131.23 137.06 48.75 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.475 -0.784 . . . . 74.21 109.917 -176.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.435 ' CZ ' ' HB ' ' A' ' 92' ' ' THR . 4.0 tmt_? -95.62 108.11 20.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.512 0.673 . . . . 55.01 109.445 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 4.2 mm? -91.99 120.15 32.38 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 114.603 -1.181 . . . . 55.4 108.893 177.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.435 ' HB ' ' CZ ' ' A' ' 90' ' ' ARG . 5.2 t -115.26 99.39 7.37 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 123.145 1.45 . . . . 75.22 110.922 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.8 p -115.17 -179.52 3.65 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.987 -1.46 . . . . 74.14 110.294 -170.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.08 -14.54 82.17 Favored Glycine 0 C--N 1.342 0.885 0 N-CA-C 111.479 -0.649 . . . . 73.31 111.479 175.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -78.91 -50.2 11.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.518 -0.549 . . . . 75.43 109.518 169.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.09 -159.31 30.26 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-N 115.908 -0.587 . . . . 44.55 112.981 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.534 ' HA ' ' O ' ' A' ' 91' ' ' LEU . . . -94.26 122.76 37.13 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.888 -0.656 . . . . 65.22 110.842 -178.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -124.87 135.83 53.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.07 -0.968 . . . . 72.02 109.691 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 11.5 tt0 -96.68 103.39 15.3 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.583 -0.447 . . . . 73.11 109.96 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.1 mt -91.95 112.23 24.08 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.444 -0.576 . . . . 63.12 109.444 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -117.41 111.82 19.84 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.384 -0.599 . . . . 75.14 109.384 173.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 79.7 m -83.67 111.95 19.6 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.847 -1.07 . . . . 53.13 110.696 -178.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.566 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 79.2 mt -109.15 171.46 7.42 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.423 -1.262 . . . . 71.25 108.976 178.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 132.61 152.48 7.0 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.432 -0.889 . . . . 54.04 112.695 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.98 25.91 7.54 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.61 0.719 . . . . 65.51 110.884 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.0 t -95.7 1.05 10.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 122.964 1.364 . . . . 71.1 109.949 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.3 p -78.59 -13.33 59.88 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.226 -1.352 . . . . 72.41 110.743 174.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -133.29 32.23 3.71 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.095 -0.502 . . . . 62.2 110.606 172.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.6 t -126.07 124.65 41.1 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.561 -0.291 . . . . 55.2 110.371 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -129.39 90.98 0.31 Allowed Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 116.026 -0.534 . . . . 44.5 113.537 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 37.4 mp0 -84.07 -23.0 31.01 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.805 0.442 . . . . 72.04 110.683 174.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 72.5 95.0 0.07 Allowed 'General case' 0 C--N 1.354 0.783 0 C-N-CA 125.619 1.568 . . . . 73.31 111.768 -174.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--O 1.251 1.173 0 CA-C-N 115.435 -0.802 . . . . 51.01 109.052 175.185 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.8 0 N-CA-C 112.233 -0.347 . . . . 63.43 112.233 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -80.86 -0.94 41.22 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.049 0.388 . . . . 62.42 112.049 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -62.9 -33.22 74.86 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.588 0.755 . . . . 61.42 110.197 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 70.2 mtm -74.03 106.7 5.83 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.338 0.589 . . . . 75.53 109.839 169.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.01 -25.63 29.78 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.867 -1.06 . . . . 74.41 109.283 177.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 t 50.99 37.3 17.34 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 126.565 1.946 . . . . 53.31 113.185 172.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -79.14 -12.88 59.99 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 114.544 -1.207 . . . . 73.14 111.606 -178.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.416 ' HB3' ' OE2' ' A' ' 13' ' ' GLU . 61.7 mtp180 60.68 77.18 0.34 Allowed 'General case' 0 C--O 1.218 -0.577 0 O-C-N 124.664 1.227 . . . . 73.54 109.277 -168.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.469 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 54.5 m-85 -73.88 157.27 36.6 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.043 -0.981 . . . . 65.13 109.299 176.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.531 HD13 ' CD1' ' A' ' 89' ' ' TRP . 50.1 tp -67.05 -25.9 66.48 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.354 0.525 . . . . 75.55 110.741 176.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.4 tp -62.5 -41.12 98.61 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.033 0.444 . . . . 63.01 110.929 170.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.13 -29.72 60.62 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.8 -0.636 . . . . 73.43 110.671 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 77.6 mm-40 -67.03 -49.02 66.58 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 123.032 0.533 . . . . 63.4 111.949 178.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.63 -22.75 65.32 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.655 0.613 . . . . 74.32 112.655 -173.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -70.22 -18.21 63.16 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.578 0.751 . . . . 72.4 112.158 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -128.32 11.16 6.35 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.332 0.494 . . . . 64.05 112.332 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.55 135.55 44.93 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.738 -0.21 . . . . 74.52 110.602 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.411 ' HB2' ' H ' ' A' ' 106' ' ' VAL . 32.8 t70 -98.24 -27.07 14.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.614 0.721 . . . . 74.31 109.739 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 33.0 ttp -131.75 143.6 50.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.98 -1.009 . . . . 61.11 109.955 -170.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mt -134.95 155.2 51.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.443 -0.577 . . . . 61.03 109.443 176.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -133.05 152.05 51.99 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.252 -1.018 . . . . 62.21 108.252 171.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.648 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 7.1 tt -131.63 115.95 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-O 122.174 0.987 . . . . 71.14 111.578 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.416 ' HA ' ' HB3' ' A' ' 99' ' ' GLN . 35.4 m-20 60.63 23.0 12.8 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.39 1.476 . . . . 72.22 112.274 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.85 -11.53 66.16 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 116.486 -0.325 . . . . 72.04 113.248 -177.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 tt -89.15 122.33 32.34 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 107.938 -1.134 . . . . 72.15 107.938 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -74.72 124.06 26.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.805 -0.634 . . . . 70.02 112.157 -171.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.94 128.89 38.96 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.88 -0.6 . . . . 72.53 109.696 171.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 12.6 p-90 -88.67 -25.14 22.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.232 0.539 . . . . 73.21 110.484 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -142.63 138.36 30.65 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.879 -0.601 . . . . 75.01 110.031 -175.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -135.47 152.55 51.46 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.31 0.576 . . . . 75.34 110.547 168.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -111.35 140.98 45.48 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.938 -1.028 . . . . 54.45 109.404 -176.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 mt -113.81 135.69 53.68 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.91 -0.586 . . . . 72.42 109.846 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -78.36 89.02 4.36 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 108.698 -0.853 . . . . 65.15 108.698 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.77 -21.98 56.88 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 122.448 0.299 . . . . 64.31 111.53 -172.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -64.87 -46.77 80.43 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.277 0.631 . . . . 73.44 110.567 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 tp -80.51 -28.76 37.36 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.579 -0.737 . . . . 75.41 111.425 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.6 mt -77.1 -25.23 51.98 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.726 0.41 . . . . 60.15 112.016 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.27 -37.47 83.49 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 109.827 -0.434 . . . . 72.33 109.827 173.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -79.61 -25.53 41.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.846 -0.615 . . . . 74.35 112.072 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.18 -42.02 69.57 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.026 -0.534 . . . . 73.31 111.075 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.72 -29.19 40.59 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.969 -0.559 . . . . 74.22 110.336 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.0 tt -56.87 -46.73 81.64 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.012 0.925 . . . . 75.15 110.711 171.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.51 -41.15 69.57 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.31 -0.859 . . . . 55.4 110.966 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.93 77.07 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.654 0.613 . . . . 74.23 112.654 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.24 -18.06 61.85 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 122.725 0.41 . . . . 64.14 111.692 175.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.76 8.89 43.9 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 111.656 0.243 . . . . 74.25 111.656 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 63.77 34.78 11.72 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.067 1.347 . . . . 45.42 111.219 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 87.1 mt-30 -113.26 123.69 32.91 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.323 -0.853 . . . . 74.25 109.478 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 48' ' ' GLN . 10.3 Cg_exo -68.49 123.28 10.33 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 121.906 1.737 . . . . 63.33 111.796 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -94.84 132.44 39.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.326 -0.62 . . . . 72.03 109.326 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.21 121.55 13.98 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.995 -0.548 . . . . 74.32 110.656 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 74' ' ' TYR . 46.9 t -139.42 145.4 38.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.274 -0.876 . . . . 60.13 110.059 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -102.37 12.98 35.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 73.33 110.917 174.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -79.41 170.65 16.28 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 108.187 -1.042 . . . . 72.43 108.187 172.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.0 p-90 -73.71 156.2 38.15 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.145 0.497 . . . . 72.33 109.671 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 p -140.68 -22.16 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 121.129 0.49 . . . . 74.44 111.733 172.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -133.87 126.25 30.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.106 -0.702 . . . . 65.15 109.106 -172.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 70' ' ' TRP . . . -130.54 106.49 8.55 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 120.548 0.214 . . . . 75.53 111.214 173.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -100.4 118.69 47.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-O 120.716 0.293 . . . . 72.12 110.894 -176.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -101.13 119.5 38.83 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.514 -0.551 . . . . 75.15 109.514 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.6 m -124.72 142.6 51.28 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.17 -0.923 . . . . 70.22 109.576 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.487 ' HA ' ' O ' ' A' ' 66' ' ' THR . 9.6 mp -95.99 117.44 30.67 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.119 0.485 . . . . 55.31 110.143 176.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -106.65 99.86 9.41 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-O 122.332 1.063 . . . . 54.41 108.843 172.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.38 -107.0 2.77 Favored Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 110.466 -1.054 . . . . 74.41 110.466 -169.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -123.36 8.43 9.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.691 0.758 . . . . 74.03 109.147 170.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.487 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 11.5 m -86.18 127.1 34.67 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 114.696 -1.138 . . . . 50.45 110.783 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -92.78 99.83 12.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.351 0.596 . . . . 72.3 110.275 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -98.99 118.19 35.21 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.732 -1.122 . . . . 71.02 109.365 -175.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.494 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -116.74 140.75 49.06 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.138 -0.625 . . . . 74.43 111.422 179.28 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.426 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 19.6 m-90 -115.45 123.16 47.89 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.862 -0.792 . . . . 74.3 108.862 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -108.68 117.59 34.57 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.876 -0.416 . . . . 74.0 109.876 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -107.76 146.81 31.67 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.318 -0.855 . . . . 75.24 111.288 -174.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 m -72.36 158.97 34.79 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.266 0.979 . . . . 71.11 110.731 177.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 52' ' ' SER . 83.9 t80 -62.59 -44.73 95.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.698 -0.683 . . . . 74.4 111.556 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -64.25 -31.21 72.33 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.652 0.612 . . . . 74.14 112.652 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.04 -33.88 75.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.973 0.509 . . . . 50.21 111.884 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.0 t -76.7 -30.47 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.342 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.2 mmt -66.75 -37.02 83.82 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.499 0.555 . . . . 64.5 112.499 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -92.27 7.26 43.53 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.47 0.545 . . . . 73.51 112.47 -176.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 90' ' ' ARG . . . -59.13 124.55 20.32 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.531 0.567 . . . . 54.35 112.531 177.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -92.06 135.05 27.64 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 115.47 -0.786 . . . . 74.12 111.593 -174.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -70.48 120.72 7.34 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.249 1.966 . . . . 52.43 112.548 175.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -80.55 173.38 12.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.391 -0.822 . . . . 75.53 109.877 176.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.27 -12.23 60.24 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 121.021 0.439 . . . . 74.5 111.836 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.65 -22.54 62.49 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.789 0.836 . . . . 73.15 111.122 171.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.73 -16.46 14.74 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 114.602 0.601 . . . . 71.04 114.602 174.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -122.6 -6.66 8.63 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 117.715 0.758 . . . . 71.03 110.24 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.7 m -96.66 144.99 26.17 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.96 -0.563 . . . . 75.3 110.139 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.531 ' CD1' HD13 ' A' ' 10' ' ' LEU . 43.5 m95 -131.92 146.54 52.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.473 -0.785 . . . . 73.01 110.341 -174.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 80' ' ' ALA . 80.0 mtt180 -91.45 108.65 20.04 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.898 -0.408 . . . . 73.52 109.898 170.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -89.31 99.61 12.57 Favored 'General case' 0 N--CA 1.438 -1.062 0 N-CA-C 107.205 -1.406 . . . . 71.41 107.205 176.295 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.6 p -95.59 114.35 26.09 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.595 -1.184 . . . . 74.24 110.777 -170.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.1 p -118.56 -173.87 2.56 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.015 -0.993 . . . . 75.55 109.975 -176.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.04 -22.34 78.02 Favored Glycine 0 CA--C 1.523 0.563 0 CA-C-N 116.087 -0.506 . . . . 64.31 112.115 171.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -73.77 -38.84 64.55 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.125 0.57 . . . . 72.22 110.397 175.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.15 -112.09 0.51 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.04 -0.6 . . . . 70.04 112.521 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.12 138.29 18.33 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.044 -0.354 . . . . 70.54 110.044 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.483 ' HB3' HD11 ' A' ' 22' ' ' ILE . 97.5 m-85 -131.27 130.89 43.4 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 123.734 0.814 . . . . 61.05 109.352 -176.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.648 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 18.7 tt0 -85.62 102.1 13.27 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 120.694 -0.402 . . . . 72.31 111.558 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.8 mt -93.23 123.21 36.35 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 109.292 -0.633 . . . . 65.42 109.292 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -117.17 121.19 40.54 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.091 0.472 . . . . 73.24 110.117 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.0 p -82.92 127.52 33.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.011 -0.995 . . . . 72.14 110.934 -175.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 57.7 mt -136.2 170.23 16.35 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.485 -0.932 . . . . 74.35 108.485 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 81.14 163.13 29.96 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.954 -0.641 . . . . 63.03 113.385 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.53 25.94 1.31 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.074 0.464 . . . . 75.43 110.849 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.411 ' H ' ' HB2' ' A' ' 18' ' ' ASP . 31.4 t -102.18 85.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.331 -0.618 . . . . 73.41 109.331 -176.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.2 m 59.45 -105.2 0.23 Allowed 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 113.987 -1.461 . . . . 72.22 111.395 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -158.79 -89.3 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.862 -0.421 . . . . 64.03 109.862 173.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.405 ' HB3' ' H ' ' A' ' 110' ' ' GLY . 14.0 m -163.1 -154.68 0.3 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.962 0.905 . . . . 73.3 109.48 -174.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.405 ' H ' ' HB3' ' A' ' 109' ' ' SER . . . -162.04 160.17 32.23 Favored Glycine 0 N--CA 1.432 -1.633 0 N-CA-C 109.445 -1.462 . . . . 53.04 109.445 170.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -82.4 104.1 12.45 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.507 -0.923 . . . . 71.01 108.507 174.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -79.94 137.94 36.99 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.824 -0.625 . . . . 65.54 110.679 -171.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.242 0.698 0 CA-C-N 115.418 -0.81 . . . . 75.44 109.029 179.499 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.517 0 N-CA-C 111.342 -0.703 . . . . 40.43 111.342 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 t -165.48 141.83 5.42 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 123.99 0.464 . . . . 60.55 109.929 -176.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -94.58 7.81 44.41 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.205 0.526 . . . . 73.52 110.751 173.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 60.2 mtt -111.23 122.25 47.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.172 -0.677 . . . . 72.41 109.172 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.7 p -71.61 -50.93 26.23 Favored 'General case' 0 C--O 1.224 -0.253 0 O-C-N 123.453 0.471 . . . . 24.44 109.903 174.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 t -96.87 99.85 11.4 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 108.387 -0.968 . . . . 75.21 108.387 165.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -69.65 113.52 7.0 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 114.597 -1.183 . . . . 73.25 110.556 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -123.19 73.01 1.14 Allowed 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 108.895 -0.78 . . . . 75.0 108.895 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.529 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 79.0 m-85 -89.93 173.47 8.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.352 -1.294 . . . . 70.43 108.231 171.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.502 HD13 ' CD1' ' A' ' 89' ' ' TRP . 51.4 tp -61.0 -32.66 72.23 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.348 0.405 . . . . 71.22 111.061 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.452 HD11 HD22 ' A' ' 37' ' ' LEU . 52.6 tp -55.53 -47.75 75.79 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 124.381 1.051 . . . . 61.23 111.987 173.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -77.28 -24.1 51.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.938 -0.574 . . . . 61.51 110.955 -177.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 46.6 mm-40 -75.36 -37.57 60.56 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 115.733 -0.667 . . . . 74.11 112.555 -178.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.552 HD13 HD22 ' A' ' 32' ' ' LEU . 3.1 pp -71.71 -24.75 61.85 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.916 0.388 . . . . 74.21 111.912 -178.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -80.71 -19.46 45.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.3 -0.864 . . . . 72.34 112.163 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.9 p -113.48 10.98 18.3 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.638 0.256 . . . . 74.4 111.679 -178.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.592 ' HB2' ' HB3' ' A' ' 102' ' ' CYS . . . -100.02 154.43 18.4 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.305 -0.407 . . . . 52.14 111.666 -176.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -102.04 -34.29 9.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.111 -0.495 . . . . 65.21 109.85 174.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.429 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 46.2 mtm -131.69 163.63 27.71 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.803 -0.635 . . . . 34.14 109.545 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.36 129.95 45.44 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.512 -0.921 . . . . 72.42 108.512 172.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -117.69 130.34 56.28 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.548 -0.908 . . . . 61.43 108.548 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.565 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.3 tt -124.62 113.28 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 CA-C-O 121.937 0.875 . . . . 63.13 111.998 -172.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 t70 61.03 27.11 17.0 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 114.389 -1.278 . . . . 34.05 111.796 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.11 0.21 63.69 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.729 -0.669 . . . . 25.23 113.183 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.3 tp -111.64 115.69 29.55 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.751 -0.462 . . . . 73.11 109.751 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -68.11 116.84 9.19 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.025 -0.534 . . . . 64.1 110.967 -177.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.82 125.28 29.1 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 108.092 -1.077 . . . . 64.44 108.092 168.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -21.16 58.51 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 123.597 0.561 . . . . 63.23 111.755 -172.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -158.74 173.27 16.81 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.092 -0.707 . . . . 65.12 109.092 169.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -147.42 161.24 41.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.534 -0.757 . . . . 74.42 110.667 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 5.9 mm-40 -127.36 138.8 53.11 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 115.804 -0.635 . . . . 74.31 109.599 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.552 HD22 HD13 ' A' ' 14' ' ' LEU . 48.0 mt -118.81 136.88 53.76 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.057 -0.974 . . . . 71.42 109.478 -177.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.559 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 55.6 t30 -85.63 89.1 7.64 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.734 -0.469 . . . . 75.42 109.734 177.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -68.6 -30.12 68.79 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.723 -1.126 . . . . 75.32 112.541 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -57.58 -43.49 84.62 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 124.219 0.95 . . . . 64.41 111.302 173.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.4 tp -81.7 -23.86 36.55 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.063 -0.517 . . . . 75.52 110.985 -178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 38.5 mt -76.37 -27.06 56.25 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.246 -0.434 . . . . 64.22 111.337 177.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.19 -47.4 77.07 Favored 'General case' 0 C--O 1.221 -0.441 0 O-C-N 123.832 0.708 . . . . 52.41 109.756 172.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -69.66 -28.69 66.09 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 124.117 0.885 . . . . 75.24 111.538 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.45 -48.12 70.98 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.818 0.699 . . . . 53.23 111.802 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.21 -29.59 61.8 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.989 -0.551 . . . . 71.1 111.237 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 tt -60.9 -47.94 84.11 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.46 1.104 . . . . 72.25 110.548 174.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.8 -34.58 64.69 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.984 -0.553 . . . . 52.52 111.267 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.54 -33.41 75.84 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.863 0.363 . . . . 74.41 111.787 178.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -80.12 -5.0 55.2 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.873 -0.603 . . . . 74.14 112.265 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.28 9.99 35.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.635 -0.257 . . . . 53.55 110.695 171.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 t70 71.58 12.47 6.44 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 124.701 1.2 . . . . 63.35 111.388 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -101.67 122.45 47.62 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.624 -0.716 . . . . 63.54 110.164 -174.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -63.79 125.05 14.64 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.789 2.326 . . . . 71.42 112.529 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -98.9 126.46 44.58 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.66 -0.7 . . . . 74.13 109.675 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -142.67 119.48 11.2 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.283 -0.636 . . . . 73.31 109.283 173.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.1 t -128.31 140.25 51.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.737 -0.665 . . . . 45.32 109.754 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -94.63 17.22 13.75 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 120.843 0.354 . . . . 65.4 111.145 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -85.21 168.62 14.6 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 107.882 -1.155 . . . . 74.1 107.882 167.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 4.9 p-90 -73.6 156.22 38.28 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.887 0.375 . . . . 71.13 110.74 -175.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.36 -27.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.359 -0.382 . . . . 73.34 111.304 171.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.73 131.01 51.44 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.569 0.7 . . . . 75.41 111.622 -171.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' A' ' 31' ' ' GLU . . . -131.54 102.74 6.05 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 114.443 -1.253 . . . . 55.04 109.657 169.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.491 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -102.92 137.06 32.51 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 107.546 -1.279 . . . . 72.13 107.546 176.457 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -134.4 148.47 50.66 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.772 -0.371 . . . . 72.11 110.536 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.5 t -145.3 121.56 10.88 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.217 -0.901 . . . . 71.41 109.44 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.7 mt -94.9 105.83 17.78 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.068 -1.086 . . . . 74.25 108.068 166.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.466 ' O ' HG22 ' A' ' 66' ' ' THR . 18.1 t70 -97.78 96.17 8.05 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 108.461 -0.94 . . . . 75.04 108.461 -178.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.74 -98.01 1.14 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.575 -1.01 . . . . 72.34 110.575 -169.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -129.83 4.34 4.96 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.251 0.22 . . . . 73.42 111.067 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 63' ' ' ASP . 11.7 t -90.83 149.41 21.97 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 110.22 -0.289 . . . . 74.42 110.22 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.82 131.82 54.71 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.503 0.668 . . . . 73.25 111.177 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -131.65 117.12 18.25 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.925 -1.034 . . . . 71.13 109.335 175.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -127.56 133.56 49.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.315 -0.624 . . . . 65.34 109.315 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.491 ' HB2' HG23 ' A' ' 59' ' ' VAL . 8.4 m-90 -117.12 123.32 46.48 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 108.612 -0.885 . . . . 73.42 108.612 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -109.65 116.85 32.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.608 -0.724 . . . . 72.34 109.845 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -114.63 142.98 45.75 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.994 -0.548 . . . . 72.11 110.452 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 66.3 p -82.06 163.69 21.89 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 124.191 0.932 . . . . 73.02 109.942 174.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -66.49 -32.28 73.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.923 -0.58 . . . . 74.2 110.528 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -67.33 -35.13 78.78 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 115.042 -0.981 . . . . 63.21 110.735 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.73 63.75 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 123.687 0.617 . . . . 51.3 112.119 177.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.5 t -70.76 -26.19 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.254 0.622 . . . . 74.05 110.942 173.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.4 mmt -74.21 -26.34 60.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.088 -0.506 . . . . 72.33 111.599 171.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.54 11.01 32.42 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.167 0.587 . . . . 74.14 111.631 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.35 117.62 17.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.869 -0.605 . . . . 54.51 110.858 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -80.95 128.33 71.64 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 114.479 -1.237 . . . . 72.42 110.163 -175.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -66.37 121.83 9.19 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 121.661 1.574 . . . . 74.14 111.692 173.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -86.78 168.16 13.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.012 -0.54 . . . . 73.53 110.123 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.53 -16.08 62.32 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.485 0.55 . . . . 54.11 112.485 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.66 -23.82 62.58 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.466 0.706 . . . . 61.43 111.279 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.91 -14.64 25.21 Favored Glycine 0 C--N 1.34 0.804 0 N-CA-C 114.523 0.569 . . . . 74.12 114.523 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -117.64 -20.28 9.02 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 117.328 0.564 . . . . 72.2 110.714 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.4 m -90.31 146.88 23.86 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.635 -0.711 . . . . 65.55 110.332 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.502 ' CD1' HD13 ' A' ' 10' ' ' LEU . 67.3 m95 -127.27 151.23 49.01 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.571 -0.74 . . . . 74.43 109.63 178.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -104.42 100.37 10.07 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.201 -0.666 . . . . 74.0 109.201 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.52 98.83 11.91 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.53 -0.915 . . . . 72.24 108.53 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.1 p -100.75 119.95 39.37 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.235 -0.893 . . . . 73.31 110.131 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.1 p -116.42 -179.03 3.56 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.925 -1.034 . . . . 71.11 108.739 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -76.12 -24.65 68.32 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 120.901 -0.666 . . . . 73.41 111.484 171.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -75.58 -48.87 20.47 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.338 0.655 . . . . 55.13 110.096 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -164.14 -152.72 7.07 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.316 -0.469 . . . . 75.01 113.275 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -148.18 108.95 4.2 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.683 0.793 . . . . 72.25 109.566 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.454 ' HB3' HD11 ' A' ' 22' ' ' ILE . 86.2 m-85 -127.17 129.37 47.74 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 123.597 0.759 . . . . 75.55 110.278 -165.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.565 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 22.6 tt0 -89.74 105.03 17.53 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.806 -0.358 . . . . 71.12 111.222 -174.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 38.0 mt -91.07 111.56 23.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.895 0.378 . . . . 61.24 110.233 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -115.63 122.57 46.0 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.808 -0.812 . . . . 60.35 108.808 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.592 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 95.3 m -86.22 119.16 26.2 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.663 -0.699 . . . . 70.24 110.978 -178.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.429 ' HB2' ' HB2' ' A' ' 19' ' ' MET . 2.1 mt -102.6 91.8 4.37 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.034 -0.53 . . . . 65.41 110.169 -175.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -94.75 79.99 0.9 Allowed Glycine 0 N--CA 1.441 -1.003 0 N-CA-C 110.333 -1.107 . . . . 64.3 110.333 172.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.7 2.82 9.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.261 0.553 . . . . 72.32 111.691 -173.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.5 t -108.81 88.64 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 N-CA-C 107.083 -1.451 . . . . 71.04 107.083 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.0 t 63.53 -165.46 0.24 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.575 -1.193 . . . . 61.13 108.686 -171.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.94 64.63 1.29 Allowed 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 108.834 -0.802 . . . . 63.34 108.834 168.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.6 m -77.07 -83.18 0.08 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.383 -1.28 . . . . 71.23 110.479 -177.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.27 -85.44 0.6 Allowed Glycine 0 C--N 1.338 0.666 0 O-C-N 123.526 0.516 . . . . 73.33 113.042 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -105.77 147.85 28.14 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.748 -0.464 . . . . 65.43 109.748 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -86.08 -38.8 17.43 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.969 -0.559 . . . . 71.35 110.365 176.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--O 1.24 0.566 0 CA-C-O 118.403 -0.808 . . . . 70.12 110.405 -179.821 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.941 0 N-CA-C 111.975 -0.45 . . . . 42.32 111.975 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 t -115.96 109.81 18.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.82 0.343 . . . . 73.45 110.214 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -123.21 36.7 4.58 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.994 -0.743 . . . . 65.51 108.994 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.1 mtt -79.46 96.99 6.22 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.987 0.899 . . . . 72.33 110.464 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.8 p -89.72 -33.93 16.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.309 -1.314 . . . . 74.52 112.187 -172.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.0 t -78.1 17.47 0.61 Allowed 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 115.115 -0.948 . . . . 63.21 112.87 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -77.78 -5.31 50.32 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.559 -0.746 . . . . 73.43 109.968 164.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? 60.44 77.83 0.31 Allowed 'General case' 0 C--N 1.353 0.734 0 C-N-CA 125.989 1.716 . . . . 74.44 111.82 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.543 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 61.7 m-85 -93.79 149.26 21.38 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.589 -1.187 . . . . 61.11 108.352 173.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.613 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 33.8 tp -64.07 -31.31 72.46 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 123.784 0.677 . . . . 63.0 110.723 176.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.08 -37.85 88.95 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.0 0.37 . . . . 51.55 112.0 173.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.62 -35.19 79.59 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.837 0.71 . . . . 64.21 110.609 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 22.2 mm-40 -65.88 -41.25 91.81 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 124.185 0.928 . . . . 73.35 111.421 178.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 50.3 mt -66.37 -42.19 88.35 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.545 1.153 . . . . 71.32 111.062 -178.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.18 -29.19 70.32 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.81 -0.632 . . . . 74.22 112.171 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.3 p -104.35 14.09 30.84 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.617 0.599 . . . . 72.24 112.617 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.46 128.16 54.55 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 120.826 0.346 . . . . 74.01 110.886 178.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -84.69 -38.17 20.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.87 0.843 . . . . 70.35 108.901 174.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.1 ttp -124.79 147.83 48.49 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 113.839 -1.528 . . . . 70.04 108.793 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.3 tp -139.04 129.58 25.84 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.217 -0.66 . . . . 65.33 109.217 -177.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -104.42 152.46 22.29 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.921 -0.311 . . . . 75.35 110.387 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.544 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 14.6 tt -136.46 116.89 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 CA-C-O 121.634 0.73 . . . . 72.24 111.588 174.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 t70 63.84 20.85 12.41 Favored 'General case' 0 CA--C 1.557 1.228 0 CA-C-N 114.425 -1.261 . . . . 71.11 112.241 174.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.16 0.39 55.96 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 120.986 -0.626 . . . . 72.4 113.389 -175.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.2 tp -115.35 116.66 28.65 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.97 0.508 . . . . 75.31 110.142 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -70.5 120.51 16.25 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 112.622 0.601 . . . . 74.35 112.622 -176.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.03 136.9 32.77 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.49 -0.323 . . . . 54.2 110.416 178.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.2 p-90 -83.61 -27.19 29.36 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.089 -0.505 . . . . 74.55 110.598 -174.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -146.99 149.06 32.39 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.291 -0.633 . . . . 72.0 109.291 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' HB3' HG12 ' A' ' 59' ' ' VAL . 52.8 p90 -139.09 150.3 45.54 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 121.326 0.584 . . . . 64.04 109.846 169.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -116.19 136.41 53.04 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.08 -0.964 . . . . 73.04 110.894 -176.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -111.36 136.23 50.78 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.215 -0.902 . . . . 65.34 109.775 176.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -77.81 102.46 7.22 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.599 -0.889 . . . . 74.14 108.599 175.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.97 -36.93 75.59 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 124.334 1.021 . . . . 73.12 111.833 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -62.46 -40.73 97.57 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 123.98 0.8 . . . . 64.25 111.661 176.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.7 tp -79.7 -27.39 40.7 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.487 -0.324 . . . . 64.44 111.239 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.2 mt -81.83 -17.56 47.0 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 111.954 0.353 . . . . 53.03 111.954 176.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -68.05 -42.71 80.09 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 109.134 -0.691 . . . . 61.32 109.134 170.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -75.86 -27.39 57.78 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 114.851 -1.068 . . . . 62.33 111.137 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.17 -44.5 79.56 Favored 'General case' 0 C--O 1.222 -0.351 0 O-C-N 123.514 0.509 . . . . 53.5 111.375 175.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.52 -36.16 73.59 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.388 -0.823 . . . . 72.53 110.577 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.8 -49.51 76.04 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 124.379 1.05 . . . . 72.44 110.364 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.3 -36.0 76.58 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.856 0.723 . . . . 74.53 111.496 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.18 79.66 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 123.337 0.398 . . . . 33.51 111.527 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.06 -26.9 62.36 Favored 'General case' 0 C--O 1.225 -0.194 0 N-CA-C 112.397 0.517 . . . . 74.52 112.397 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.77 5.45 32.36 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.593 0.558 . . . . 73.12 111.334 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 t70 65.73 31.72 9.46 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.998 1.319 . . . . 72.14 110.822 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -118.43 114.67 36.22 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 114.646 -1.161 . . . . 61.14 109.273 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.84 124.71 16.92 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.731 2.287 . . . . 64.43 112.342 169.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.411 ' HD2' ' CZ ' ' A' ' 74' ' ' TYR . 47.6 t80 -93.06 137.96 31.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.31 -0.859 . . . . 71.02 110.173 -173.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.53 132.01 18.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.067 -0.515 . . . . 62.25 109.795 175.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -144.8 154.83 43.1 Favored 'General case' 0 CA--C 1.518 -0.25 0 C-N-CA 123.028 0.531 . . . . 73.4 109.669 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -98.61 3.43 47.93 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.212 0.449 . . . . 73.33 112.212 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.53 163.75 27.59 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.348 -0.612 . . . . 75.54 109.348 173.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.479 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 8.7 p-90 -68.49 149.58 49.1 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 109.875 -0.417 . . . . 72.43 109.875 -178.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 p -135.52 -19.68 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.405 -0.518 . . . . 41.3 111.07 172.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.32 115.57 8.45 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.194 0.521 . . . . 73.34 110.513 -171.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.86 109.16 13.27 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.461 -0.79 . . . . 74.02 109.888 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.424 HG12 ' HB3' ' A' ' 30' ' ' PHE . 35.3 m -99.87 135.4 35.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.079 0.466 . . . . 74.1 110.441 -177.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -110.4 129.09 55.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.037 -0.529 . . . . 74.44 109.794 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.429 ' HB3' ' CZ3' ' A' ' 70' ' ' TRP . 38.3 t -135.92 132.87 37.04 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.748 -0.834 . . . . 73.22 108.748 174.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.8 mt -95.37 106.52 18.58 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.377 -0.828 . . . . 74.3 109.022 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.416 ' O ' HG22 ' A' ' 66' ' ' THR . 4.7 p-10 -96.13 117.05 29.95 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.765 -0.828 . . . . 71.33 108.765 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.16 -111.54 3.46 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 109.501 -1.44 . . . . 64.21 109.501 -166.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -132.04 21.38 4.51 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.425 0.29 . . . . 72.23 110.798 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 63' ' ' ASP . 3.9 t -97.0 160.77 14.15 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.654 0.264 . . . . 74.21 110.932 -177.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -101.08 120.83 40.79 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.715 -0.476 . . . . 65.13 109.715 175.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.4 ttm105 -141.82 137.14 31.27 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.794 -0.447 . . . . 73.12 109.794 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.17 155.4 38.56 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.028 -0.533 . . . . 72.35 110.681 178.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.429 ' CZ3' ' HB3' ' A' ' 61' ' ' SER . 6.8 m-90 -124.94 122.78 38.34 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.979 -1.489 . . . . 74.22 106.979 174.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -114.13 126.3 54.93 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.197 0.523 . . . . 74.54 109.639 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -121.4 139.17 53.79 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.36 -0.836 . . . . 54.53 110.017 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 64.5 p -72.75 163.11 28.61 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.309 -0.859 . . . . 55.44 110.198 174.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.411 ' CZ ' ' HD2' ' A' ' 50' ' ' PHE . 40.2 t80 -60.08 -34.5 73.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.679 -1.146 . . . . 64.33 110.334 175.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.437 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -74.64 -37.5 62.75 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 114.521 -1.218 . . . . 73.32 111.69 -178.336 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.6 -35.46 80.24 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 123.589 0.556 . . . . 71.11 111.79 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.5 t -70.36 -30.13 41.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 123.706 0.802 . . . . 71.23 111.285 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.4 mmt -76.26 -25.87 55.4 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.803 0.668 . . . . 51.1 112.803 174.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 75' ' ' ASN . 52.4 mt-10 -84.1 -6.57 59.43 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 123.49 0.494 . . . . 71.42 112.264 -179.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.466 ' HB2' HD22 ' A' ' 91' ' ' LEU . . . -64.59 120.31 12.12 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.433 1.083 . . . . 73.41 112.322 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -82.91 133.42 48.61 Favored Pre-proline 0 N--CA 1.444 -0.77 0 CA-C-N 114.189 -1.369 . . . . 53.3 110.116 -174.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -64.38 129.39 23.84 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 121.978 1.785 . . . . 64.34 111.666 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -97.42 154.83 17.22 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.801 -0.36 . . . . 52.32 110.106 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.56 -6.15 44.76 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.862 -0.608 . . . . 64.15 111.677 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -67.67 -22.69 65.28 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 114.988 -1.006 . . . . 74.34 111.061 172.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.21 -15.58 57.91 Favored Glycine 0 C--N 1.343 0.92 0 N-CA-C 114.939 0.736 . . . . 61.4 114.939 170.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -136.39 -9.73 1.94 Allowed 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.409 0.605 . . . . 74.14 111.452 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.1 m -101.8 154.57 18.79 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.075 0.464 . . . . 44.02 110.71 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.456 ' CD1' HD13 ' A' ' 10' ' ' LEU . 77.2 m95 -133.59 142.23 48.04 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.018 -0.992 . . . . 74.51 110.188 -176.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 80' ' ' ALA . 7.8 tmm_? -89.66 98.52 11.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.41 -0.814 . . . . 75.41 109.981 -178.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -93.51 130.19 39.46 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.31 -0.996 . . . . 64.24 108.31 176.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.6 m -133.66 133.11 41.51 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.895 -0.779 . . . . 75.22 108.895 171.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.1 p -127.07 -173.28 2.85 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 124.215 0.947 . . . . 71.05 110.237 -175.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.17 -12.51 84.27 Favored Glycine 0 C--N 1.342 0.883 0 O-C-N 123.738 0.649 . . . . 54.02 112.854 170.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -87.48 -48.97 7.51 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.691 -0.485 . . . . 72.04 109.691 175.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 171.27 -164.31 37.27 Favored Glycine 0 N--CA 1.446 -0.667 0 O-C-N 123.588 0.555 . . . . 61.14 112.589 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.53 128.99 55.59 Favored 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 122.981 0.512 . . . . 50.43 110.537 -172.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -130.69 157.95 41.4 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.364 1.066 . . . . 74.21 109.733 -173.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.544 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 45.7 tt0 -121.95 107.56 12.4 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 121.828 -0.545 . . . . 74.13 110.903 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.4 mt -92.23 113.18 25.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.186 0.517 . . . . 72.53 110.633 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -115.79 123.9 49.39 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.57 -0.741 . . . . 72.31 110.419 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.3 p -84.71 133.6 34.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.541 -0.754 . . . . 72.21 111.007 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 98.6 mt -130.53 118.39 21.01 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.024 -0.535 . . . . 64.23 109.81 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -122.78 86.15 0.38 Allowed Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 120.602 -0.809 . . . . 74.22 112.181 -178.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.03 18.64 0.87 Allowed 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.843 0.378 . . . . 74.25 111.515 177.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.9 t -120.07 90.31 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 110.163 -0.31 . . . . 51.21 110.163 -175.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.9 t 79.04 -49.8 0.43 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 125.272 1.429 . . . . 63.23 113.508 174.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 74.75 -53.72 0.67 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 126.441 1.897 . . . . 71.12 111.734 -173.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.8 m -80.95 97.71 7.57 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 123.098 0.559 . . . . 74.24 109.999 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 173.23 88.74 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.792 0 N-CA-C 111.984 -0.446 . . . . 73.55 111.984 -178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -85.29 -50.1 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 122.653 0.381 . . . . 74.11 110.259 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -143.29 -52.66 0.36 Allowed 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.563 -0.744 . . . . 71.13 110.041 -176.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--O 1.241 0.634 0 CA-C-O 118.523 -0.751 . . . . 64.35 110.388 179.612 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.884 -0.486 . . . . 72.45 111.884 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -87.7 87.13 7.29 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.437 0.637 . . . . 65.3 110.126 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -99.33 85.26 3.15 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.288 -1.004 . . . . 73.11 108.288 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.9 ptt? -125.63 123.05 38.14 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.917 -1.038 . . . . 71.13 111.666 -170.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.35 -25.24 29.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.894 -1.048 . . . . 74.1 111.046 173.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 t -67.55 109.1 3.1 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.686 1.232 . . . . 73.33 110.847 168.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.54 11.48 4.87 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.64 -1.164 . . . . 63.54 109.671 171.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 57.93 71.01 0.6 Allowed 'General case' 0 C--N 1.346 0.45 0 C-N-CA 123.895 0.878 . . . . 63.44 110.263 -167.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -86.78 176.61 7.64 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 114.768 -1.106 . . . . 74.32 108.473 171.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.93 -29.19 69.0 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.758 0.313 . . . . 71.1 110.569 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.1 tp -70.49 -31.21 68.22 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.492 -0.777 . . . . 74.13 111.49 174.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -80.12 -26.07 39.63 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.276 0.56 . . . . 64.3 110.067 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.427 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 32.4 mm-40 -84.6 -24.98 28.93 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 113.572 0.953 . . . . 75.42 113.572 -176.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pp -78.04 -21.83 50.09 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.592 0.633 . . . . 63.22 111.966 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -75.77 -26.45 57.38 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.804 -0.634 . . . . 74.54 111.091 172.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 p -102.86 27.03 7.39 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 116.035 -0.529 . . . . 74.25 110.737 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.48 147.83 50.7 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-O 121.198 0.523 . . . . 64.12 111.873 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -100.56 -51.52 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.844 -1.071 . . . . 75.44 109.382 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.543 ' HG3' ' HB2' ' A' ' 103' ' ' LEU . 11.9 ptt? -123.14 152.4 41.17 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.441 -1.254 . . . . 74.05 109.124 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HG ' ' CD2' ' A' ' 30' ' ' PHE . 20.0 mt -110.3 170.36 8.13 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 109.252 -0.647 . . . . 64.43 109.252 175.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.498 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 36.7 tt0 -138.43 137.61 37.38 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.557 -0.905 . . . . 72.02 108.557 174.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.2 mt -120.77 102.04 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.626 -0.509 . . . . 75.21 109.626 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.6 t70 65.43 30.1 11.02 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.102 1.361 . . . . 65.3 111.499 173.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.65 -22.19 40.76 Favored Glycine 0 C--O 1.23 -0.119 0 C-N-CA 120.929 -0.653 . . . . 41.23 112.94 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tt -85.03 109.73 18.42 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.002 -1.11 . . . . 73.33 108.002 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -68.06 121.56 16.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.029 -0.532 . . . . 75.03 110.462 -177.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.39 137.83 38.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.186 -0.916 . . . . 51.11 109.518 176.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -82.07 -33.94 29.64 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 120.784 -0.366 . . . . 74.52 111.081 -174.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -155.54 137.78 14.78 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.912 -0.403 . . . . 74.51 109.912 -172.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.431 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 31.9 p90 -125.22 161.84 26.01 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.451 -0.795 . . . . 61.21 109.852 172.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 47.8 mt-10 -125.63 140.38 52.78 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.728 -0.669 . . . . 64.21 109.798 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.7 mt -114.88 134.04 55.48 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.804 -0.443 . . . . 72.23 109.804 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.503 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.0 t-20 -78.76 91.93 4.76 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.561 -0.903 . . . . 73.14 108.561 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -70.72 -27.31 63.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.303 -0.862 . . . . 50.14 111.615 -175.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -64.17 -47.4 79.97 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.918 0.887 . . . . 54.32 111.625 173.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.7 tp -72.79 -27.23 61.87 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 122.399 0.28 . . . . 71.14 110.894 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 54.8 mt -80.1 -20.59 44.73 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 112.361 0.504 . . . . 70.02 112.361 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -68.51 -39.69 81.12 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 123.629 0.581 . . . . 63.23 109.767 171.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -76.74 -28.54 55.8 Favored 'General case' 0 C--O 1.224 -0.282 0 O-C-N 124.371 1.044 . . . . 63.12 111.079 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.7 -33.64 66.6 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-N 115.744 -0.662 . . . . 71.32 110.901 177.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -76.94 -36.62 56.42 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.427 -0.806 . . . . 60.23 110.641 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.81 -47.17 87.55 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.794 1.238 . . . . 72.23 110.255 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.51 80.65 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 124.026 0.829 . . . . 45.44 111.507 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.52 94.24 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.338 0.399 . . . . 71.12 111.703 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -74.25 -21.95 59.55 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.962 -0.563 . . . . 75.43 112.152 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.67 0.81 55.17 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 122.917 0.487 . . . . 75.42 111.729 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.1 t70 67.52 28.83 7.47 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.617 1.567 . . . . 73.53 111.894 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -113.04 124.76 30.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.056 -0.975 . . . . 74.14 109.52 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -58.76 130.31 36.37 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.585 2.19 . . . . 52.31 111.64 171.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -98.95 127.58 44.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.257 0.551 . . . . 71.41 110.387 -176.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -133.47 127.52 33.45 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.808 -0.812 . . . . 70.22 108.808 174.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.2 t -149.14 134.9 18.79 Favored 'General case' 0 C--O 1.222 -0.38 0 O-C-N 123.396 0.435 . . . . 71.35 110.324 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -91.47 14.27 15.27 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.446 0.535 . . . . 63.14 112.446 176.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -78.05 157.07 29.71 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 108.34 -0.985 . . . . 61.34 108.34 169.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.499 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 10.0 p-90 -64.67 149.46 49.01 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.691 0.619 . . . . 72.44 110.506 -177.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.03 -19.82 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.259 0.552 . . . . 71.55 110.501 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' A' ' 31' ' ' GLU . 60.2 tp -148.7 111.45 4.8 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-O 121.409 0.623 . . . . 75.43 111.27 -169.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.37 103.69 13.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.581 -0.736 . . . . 14.02 109.208 175.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 t -100.08 124.48 53.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.48 -0.782 . . . . 73.51 108.938 -173.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -121.64 141.71 50.85 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.457 0.646 . . . . 54.24 111.123 -177.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.3 m -134.86 153.79 51.91 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.541 -1.209 . . . . 74.03 109.602 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.43 ' HA ' ' O ' ' A' ' 66' ' ' THR . 6.4 mp -123.38 107.84 12.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.705 -0.225 . . . . 75.45 111.134 176.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -97.71 115.96 28.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.358 -0.979 . . . . 64.25 108.358 171.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.03 -95.83 1.42 Allowed Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.381 -1.088 . . . . 63.01 110.381 -167.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -151.24 27.37 0.68 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.662 0.785 . . . . 53.45 111.07 171.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 9.0 t -97.67 146.72 25.05 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.128 -0.629 . . . . 74.03 110.193 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -93.91 100.05 12.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.048 0.451 . . . . 72.51 110.084 -176.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -98.95 115.34 28.67 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.867 -0.606 . . . . 74.14 110.449 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -122.84 130.76 53.27 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.098 -0.501 . . . . 74.24 110.21 -175.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -121.44 121.94 38.68 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.565 -0.902 . . . . 75.12 108.565 175.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -102.52 119.56 39.04 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.529 -0.545 . . . . 71.04 109.529 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -104.81 136.76 43.71 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.051 -0.977 . . . . 72.13 108.575 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 77.7 p -80.05 166.58 21.4 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.808 -0.633 . . . . 74.12 110.3 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -61.64 -37.28 83.42 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 115.406 -0.815 . . . . 74.21 109.768 175.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -68.19 -36.2 79.21 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 124.554 1.159 . . . . 72.44 111.279 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.87 -40.53 79.25 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.608 0.568 . . . . 73.14 111.545 176.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 37.5 t -66.23 -30.72 50.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 124.193 0.997 . . . . 72.32 112.023 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.4 mmt -67.22 -51.67 50.41 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.398 -0.364 . . . . 65.2 111.675 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -80.65 -1.93 44.43 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.695 0.628 . . . . 72.23 112.695 -176.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.99 126.8 29.16 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.56 0.695 . . . . 60.15 110.719 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.461 ' HB3' ' HB3' ' A' ' 90' ' ' ARG . 22.3 tt0 -83.12 129.77 59.78 Favored Pre-proline 0 N--CA 1.44 -0.973 0 CA-C-N 113.52 -1.673 . . . . 73.23 111.143 -167.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -69.46 122.83 9.59 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.792 1.661 . . . . 71.44 111.194 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -87.49 166.05 15.07 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.879 -0.6 . . . . 71.51 109.632 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.94 -4.66 39.41 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.94 -0.573 . . . . 62.51 112.313 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.95 -24.77 59.69 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.565 0.746 . . . . 74.34 110.929 172.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.93 -14.49 37.5 Favored Glycine 0 C--N 1.34 0.76 0 N-CA-C 115.392 0.917 . . . . 55.41 115.392 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -125.39 -20.73 4.71 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 117.465 0.633 . . . . 71.03 110.802 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.6 m -89.79 146.79 24.22 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.949 -0.569 . . . . 53.4 110.797 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -128.4 158.98 36.79 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 114.622 -1.172 . . . . 74.23 109.824 -175.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.461 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 68.2 ttt180 -120.06 103.17 9.06 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 121.282 0.563 . . . . 71.41 110.565 -175.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.02 135.8 33.5 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.87 -1.059 . . . . 75.03 108.415 172.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.9 t -125.94 130.15 50.69 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.453 -0.943 . . . . 71.11 108.453 172.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 76.9 p -129.18 -174.73 3.35 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.748 -0.66 . . . . 71.24 109.331 -175.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.47 -20.21 78.77 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.079 -0.581 . . . . 71.33 112.535 174.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.01 -45.76 19.55 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 122.845 0.458 . . . . 75.52 109.786 177.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.17 -117.42 0.63 Allowed Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.974 -0.632 . . . . 73.24 112.725 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -142.23 151.56 42.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 122.928 0.491 . . . . 54.42 109.739 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -139.91 121.31 15.03 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 109.263 -0.643 . . . . 72.41 109.263 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -90.37 108.86 20.04 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 119.968 -0.693 . . . . 73.42 109.457 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.498 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 10.3 mt -95.27 109.03 21.21 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 120.614 0.245 . . . . 71.13 111.408 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -104.95 128.83 53.38 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.259 -0.576 . . . . 74.52 110.227 174.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 63.9 m -85.59 132.96 34.08 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.953 -1.021 . . . . 62.33 110.953 -178.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.543 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 87.9 mt -138.08 133.87 34.0 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.431 -0.804 . . . . 52.44 110.542 -168.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 74.12 -166.03 54.75 Favored Glycine 0 N--CA 1.47 0.967 0 CA-C-O 119.32 -0.711 . . . . 42.14 111.9 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -160.02 70.89 0.45 Allowed 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 117.546 0.673 . . . . 34.12 111.68 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 44.5 t -136.12 99.44 2.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 108.365 -0.976 . . . . 70.21 108.365 175.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.8 t -128.09 -162.58 1.19 Allowed 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 108.884 -0.784 . . . . 54.01 108.884 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.78 113.04 5.21 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.009 0.524 . . . . 71.0 112.126 -175.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.3 m -71.74 -22.11 61.66 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.941 -0.572 . . . . 43.31 112.06 -176.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -140.81 147.56 19.2 Favored Glycine 0 N--CA 1.435 -1.391 0 N-CA-C 109.441 -1.464 . . . . 63.43 109.441 169.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -75.52 111.42 10.8 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.248 -0.649 . . . . 60.44 109.248 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 22.7 t70 75.29 3.0 3.99 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 125.997 1.719 . . . . 64.02 111.672 -176.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.242 0.702 0 O-C-N 121.394 -0.816 . . . . 63.13 109.867 -178.398 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.474 0 N-CA-C 111.986 -0.445 . . . . 65.54 111.986 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m -119.88 66.37 0.81 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.483 0.659 . . . . 75.42 109.958 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -94.79 -34.22 12.58 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.921 -0.581 . . . . 74.14 110.229 174.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 69.9 mtm -73.08 120.06 18.18 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 107.928 -1.138 . . . . 42.52 107.928 170.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.77 -49.26 14.72 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-N 115.459 -0.791 . . . . 73.44 109.249 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.96 24.36 13.49 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.129 1.372 . . . . 70.04 113.092 170.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 56.67 46.17 20.69 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.335 1.054 . . . . 72.23 111.709 -173.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -96.41 66.59 2.41 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 107.225 -1.398 . . . . 60.22 107.225 173.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -74.22 172.9 10.96 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.372 -1.285 . . . . 72.45 109.019 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.429 HD13 ' CD1' ' A' ' 89' ' ' TRP . 54.5 tp -62.68 -31.64 72.57 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.973 -0.291 . . . . 74.4 110.698 174.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.48 HD11 HD22 ' A' ' 37' ' ' LEU . 66.9 tp -61.11 -41.29 96.43 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 124.098 0.874 . . . . 73.25 112.26 173.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -80.06 -25.76 39.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.77 0.319 . . . . 71.34 110.903 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -80.82 -27.33 36.58 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 113.529 0.937 . . . . 74.33 113.529 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.458 HD22 HD21 ' A' ' 57' ' ' LEU . 2.9 pp -75.34 -21.32 58.47 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.532 0.606 . . . . 72.02 111.472 179.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -76.77 -33.22 58.07 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.7 -0.682 . . . . 71.2 110.963 175.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 p -98.12 -5.89 32.72 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.929 0.714 . . . . 61.43 112.929 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.77 136.92 32.78 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 120.782 0.325 . . . . 41.3 110.798 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.84 -34.44 11.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.42 -0.809 . . . . 72.42 110.176 175.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 19.1 ttt -118.16 141.39 48.54 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.585 -0.734 . . . . 72.54 109.268 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 tp -132.93 125.42 29.79 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.985 -0.746 . . . . 53.43 108.985 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -115.03 148.52 38.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.117 -0.492 . . . . 74.32 110.624 -175.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 52.5 mt -123.52 96.55 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 121.018 0.437 . . . . 64.5 110.18 173.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.2 t70 50.75 63.3 2.28 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 113.931 -1.486 . . . . 61.22 113.186 173.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.7 0.68 69.05 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 115.331 -0.849 . . . . 64.32 114.218 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.1 tp -120.68 108.24 13.76 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 108.568 -0.901 . . . . 63.14 108.568 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -70.74 132.39 45.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.345 -0.389 . . . . 73.25 110.528 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.51 125.14 28.87 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.659 -1.237 . . . . 51.2 107.659 171.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -75.09 -27.62 59.97 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.743 0.306 . . . . 74.22 110.646 -172.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -150.31 165.04 34.24 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.421 -0.955 . . . . 72.55 108.421 171.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -146.0 167.48 23.23 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.031 0.443 . . . . 74.53 111.164 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -137.52 128.33 27.14 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.788 -0.642 . . . . 73.43 109.631 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.5 mt -102.82 133.2 48.28 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 107.783 -1.191 . . . . 73.03 107.783 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.507 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 42.4 t-20 -75.21 93.31 2.81 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 109.329 -0.619 . . . . 72.31 109.329 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.94 -35.95 82.82 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.088 0.955 . . . . 73.13 112.413 -174.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -64.09 -43.43 95.42 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 124.164 0.915 . . . . 73.12 111.8 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.8 tp -79.2 -25.48 42.72 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.587 -0.278 . . . . 71.2 111.335 -178.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 18.1 mt -82.67 -18.05 42.38 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 111.847 0.314 . . . . 73.14 111.847 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 19.2 t70 -68.85 -42.32 77.24 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 109.339 -0.615 . . . . 64.03 109.339 169.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -75.3 -30.98 60.54 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.812 0.695 . . . . 72.01 111.529 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.99 84.78 Favored 'General case' 0 CA--C 1.519 -0.212 0 O-C-N 123.695 0.622 . . . . 52.31 111.469 177.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 9.4 t70 -79.16 -31.91 44.1 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.332 -0.849 . . . . 74.44 110.353 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 38' ' ' ASP . 6.1 tt -61.95 -46.81 87.66 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.392 1.077 . . . . 54.2 110.664 177.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.55 79.1 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.407 -0.815 . . . . 74.51 111.007 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.93 -34.0 77.12 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.481 0.488 . . . . 61.11 112.139 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 41' ' ' ASP . 13.6 mm-40 -75.65 -22.15 57.03 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.509 -0.314 . . . . 71.34 111.363 175.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.25 6.81 35.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 122.741 0.417 . . . . 74.42 111.845 174.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.0 t70 68.36 28.25 6.24 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 125.492 1.517 . . . . 72.1 111.326 177.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -115.47 137.12 22.92 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.51 -0.768 . . . . 72.2 109.837 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -68.41 133.28 27.72 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.132 1.888 . . . . 73.53 112.111 171.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -108.35 136.06 48.61 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.68 -0.489 . . . . 73.01 109.68 177.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -143.36 142.78 31.4 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.25 -0.648 . . . . 72.15 109.25 172.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.2 t -153.78 128.69 9.52 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.652 -0.87 . . . . 61.1 108.652 -174.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.77 16.39 14.18 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 116.157 -0.474 . . . . 64.11 111.543 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -83.12 168.58 16.72 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.25 -1.019 . . . . 74.04 108.25 169.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -69.89 147.61 50.06 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.012 0.434 . . . . 70.32 110.42 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.0 p -126.22 -26.75 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-O 121.239 0.542 . . . . 73.12 110.166 174.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.458 HD21 HD22 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -130.15 129.82 43.97 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.993 -0.548 . . . . 73.33 110.877 -176.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.73 97.78 5.29 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.271 -1.011 . . . . 74.4 108.271 168.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.48 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -101.93 121.99 53.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 113.981 -1.463 . . . . 73.34 108.963 -172.689 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -111.32 134.8 52.64 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 120.369 -0.532 . . . . 74.34 109.9 -177.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.9 t -133.0 159.27 40.5 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.917 -0.771 . . . . 61.4 108.917 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.1 mt -105.63 106.69 17.31 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.659 -0.867 . . . . 74.2 108.659 171.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.462 ' O ' HG22 ' A' ' 66' ' ' THR . 36.9 t70 -98.77 101.64 13.11 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.323 -0.621 . . . . 72.2 109.323 -177.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.72 -98.03 1.39 Allowed Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 108.927 -1.669 . . . . 71.4 108.927 -164.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -134.35 3.33 3.35 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 123.801 0.354 . . . . 73.4 111.506 172.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.462 HG22 ' O ' ' A' ' 63' ' ' ASP . 6.6 t -89.6 149.8 22.67 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.953 0.406 . . . . 74.11 110.523 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -93.04 106.08 18.09 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.083 -0.71 . . . . 74.03 109.083 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -108.65 115.45 30.12 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.662 -0.496 . . . . 73.51 109.662 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.476 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -108.85 143.98 37.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.424 -0.807 . . . . 52.31 109.585 176.775 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.48 ' HB2' HG23 ' A' ' 59' ' ' VAL . 14.8 m-90 -117.5 129.86 56.08 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.829 -0.804 . . . . 75.44 108.829 177.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 23.7 mtm180 -104.19 117.82 35.16 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.981 -0.748 . . . . 73.33 108.981 173.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -104.26 139.12 39.73 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 108.653 -0.869 . . . . 70.05 108.653 175.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 76.4 p -82.97 158.89 22.37 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 123.64 0.588 . . . . 72.51 109.883 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -68.06 -28.39 67.33 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.808 -0.633 . . . . 65.44 110.82 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -71.37 -31.31 67.18 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.506 0.722 . . . . 73.32 110.779 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.89 -24.15 44.35 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 123.545 0.528 . . . . 73.2 111.616 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.06 -26.89 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 122.975 0.51 . . . . 73.44 110.46 173.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.4 mmt -68.65 -41.07 79.86 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.064 -0.516 . . . . 70.43 112.196 173.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -89.85 -0.54 57.62 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.635 0.606 . . . . 71.23 112.635 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.54 120.28 7.48 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 123.739 0.816 . . . . 65.04 111.531 -176.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -76.41 126.55 86.18 Favored Pre-proline 0 C--O 1.239 0.532 0 CA-C-N 114.783 -1.099 . . . . 72.02 111.228 -168.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -72.25 114.53 4.01 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 121.88 1.72 . . . . 74.03 111.39 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -83.7 160.03 21.39 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.416 -0.811 . . . . 63.01 109.933 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.61 -4.85 45.14 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.498 -0.773 . . . . 62.02 111.916 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -74.56 -24.93 59.01 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.399 -0.364 . . . . 72.42 110.81 169.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.86 -15.31 21.42 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 114.808 0.683 . . . . 70.44 114.808 177.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -116.38 -34.04 4.74 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 117.554 0.677 . . . . 74.14 110.681 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.5 m -81.51 144.74 31.11 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.515 -0.766 . . . . 75.15 110.445 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.429 ' CD1' HD13 ' A' ' 10' ' ' LEU . 82.3 m95 -127.24 150.94 49.32 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.359 -0.978 . . . . 73.15 108.359 176.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -102.43 100.06 10.16 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.678 -0.49 . . . . 74.55 109.678 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.73 99.75 12.58 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.411 -0.813 . . . . 73.34 108.939 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 p -83.81 134.38 34.72 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.67 -0.695 . . . . 74.14 109.909 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.5 p -133.25 -179.02 5.25 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.298 -0.865 . . . . 73.32 110.947 -174.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.88 -17.38 80.17 Favored Glycine 0 CA--C 1.523 0.585 0 CA-C-N 115.908 -0.587 . . . . 54.53 111.776 171.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -81.52 -43.12 19.21 Favored 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 122.879 0.471 . . . . 62.14 110.981 173.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 167.21 -106.87 0.27 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.145 -0.55 . . . . 62.12 112.22 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.85 137.1 16.54 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.088 0.47 . . . . 70.14 110.374 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -126.35 134.9 50.96 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.518 -0.765 . . . . 71.22 109.587 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.543 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 15.1 tt0 -83.55 104.01 13.34 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.013 -0.736 . . . . 75.12 109.013 175.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.9 mt -92.31 106.51 18.5 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 108.648 -0.871 . . . . 50.42 108.648 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -109.16 119.68 40.26 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-O 121.446 0.641 . . . . 73.31 109.308 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 85.8 m -82.2 125.56 31.06 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 114.099 -1.409 . . . . 25.01 108.703 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.8 mt -122.7 -177.39 3.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.18 -0.918 . . . . 74.11 110.55 -175.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -166.39 151.09 19.08 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 120.555 -0.831 . . . . 64.01 112.083 -158.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 83.25 10.96 0.5 Allowed 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 126.301 1.84 . . . . 72.13 111.244 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.8 t -108.1 62.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 106.217 -1.772 . . . . 75.02 106.217 170.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.9 m -62.13 -26.44 68.31 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 114.041 -1.436 . . . . 64.23 112.857 -170.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.7 86.76 5.27 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.093 -0.706 . . . . 34.33 109.093 165.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.9 m -78.02 -37.17 47.63 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.309 -0.86 . . . . 72.43 109.797 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -116.74 -175.73 17.67 Favored Glycine 0 N--CA 1.428 -1.857 0 CA-C-N 114.969 -1.014 . . . . 70.11 110.642 172.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -102.83 1.3 33.9 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 118.788 -0.625 . . . . 65.42 111.716 -176.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.2 t70 72.35 111.2 0.06 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.52 1.528 . . . . 73.31 112.197 174.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 . . . . . 0 C--O 1.242 0.684 0 CA-C-N 116.038 -0.528 . . . . 75.24 111.331 178.707 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.202 0 N-CA-C 111.467 -0.653 . . . . 52.33 111.467 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -88.57 -168.95 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.878 -0.415 . . . . 74.21 109.878 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -76.03 -17.21 59.77 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 121.339 0.59 . . . . 74.54 110.21 176.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 90.7 mtp -96.55 144.11 26.93 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 116.115 -0.493 . . . . 64.21 110.265 171.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 p -115.61 -45.4 2.9 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.542 -0.754 . . . . 73.11 110.534 171.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.3 m -88.45 97.41 11.05 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.626 -0.715 . . . . 64.54 110.551 176.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -87.99 106.0 17.84 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.264 -0.88 . . . . 74.22 110.287 174.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -114.9 74.41 0.88 Allowed 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 108.568 -0.901 . . . . 72.24 108.568 167.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.531 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 76.6 m-85 -99.25 167.94 10.35 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 106.248 -1.76 . . . . 71.2 106.248 165.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.56 HD13 ' CD1' ' A' ' 89' ' ' TRP . 48.2 tp -63.6 -24.84 67.96 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.477 0.486 . . . . 71.54 111.138 176.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.0 tp -66.88 -33.85 76.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.331 -0.85 . . . . 72.03 112.437 177.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -82.01 -24.25 35.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.312 0.577 . . . . 74.24 109.999 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 10.8 mm-40 -81.73 -33.05 31.29 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.442 -0.799 . . . . 61.32 112.181 -174.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.569 HD13 HD22 ' A' ' 32' ' ' LEU . 2.4 pp -71.89 -22.49 61.49 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.419 0.526 . . . . 64.31 112.419 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -76.39 -23.98 54.09 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.964 -0.562 . . . . 61.25 112.073 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.5 p -110.8 17.63 20.38 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.848 0.356 . . . . 44.5 111.029 176.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.82 121.2 33.22 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.373 0.606 . . . . 53.34 110.899 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -82.89 -52.51 6.65 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.563 -0.902 . . . . 74.35 108.563 171.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 30.5 ttp -113.17 143.19 44.8 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.319 -1.31 . . . . 74.33 108.301 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.3 144.94 50.95 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.353 -0.61 . . . . 63.4 109.353 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 86.0 mt-10 -113.03 153.17 28.53 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 116.329 -0.396 . . . . 73.1 110.102 174.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.513 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 13.9 tt -146.57 98.59 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-O 122.398 1.094 . . . . 73.24 110.496 170.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.1 t70 60.64 43.95 12.02 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 113.956 -1.474 . . . . 62.32 111.122 175.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.16 -23.45 34.59 Favored Glycine 0 C--N 1.334 0.464 0 CA-C-N 115.046 -0.979 . . . . 53.24 112.822 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 mp -87.96 126.78 35.25 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-O 120.98 0.419 . . . . 74.44 110.841 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -89.16 110.37 21.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.308 -0.405 . . . . 74.14 111.047 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.83 116.68 12.5 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.208 0.528 . . . . 75.13 109.886 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.4 p-90 -84.94 -24.71 28.26 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.301 -0.863 . . . . 75.45 110.564 -172.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -150.1 136.24 18.74 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 108.248 -1.019 . . . . 75.22 108.248 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -138.78 154.38 48.5 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.854 -0.612 . . . . 74.02 111.032 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -108.04 147.74 30.74 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.315 -0.857 . . . . 61.44 109.565 178.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.569 HD22 HD13 ' A' ' 14' ' ' LEU . 57.2 mt -123.5 138.02 54.66 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 114.908 -1.042 . . . . 62.54 108.528 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.513 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 37.5 t-20 -81.07 91.06 6.04 Favored 'General case' 0 C--O 1.224 -0.288 0 N-CA-C 108.405 -0.961 . . . . 55.01 108.405 176.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -74.13 -25.48 59.79 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 124.086 0.866 . . . . 74.41 111.27 -172.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.477 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 25.4 m-80 -67.17 -44.42 79.77 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 123.844 0.715 . . . . 74.3 111.173 173.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.3 tp -74.16 -25.01 59.49 Favored 'General case' 0 C--O 1.221 -0.422 0 O-C-N 123.82 0.7 . . . . 64.51 111.118 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 69.2 mt -83.24 -21.75 33.29 Favored 'General case' 0 C--O 1.223 -0.32 0 O-C-N 123.413 0.446 . . . . 62.41 111.564 176.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -70.71 -38.54 73.64 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 109.317 -0.623 . . . . 74.15 109.317 171.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 35' ' ' ASN . 63.6 mt-30 -74.98 -29.41 60.89 Favored 'General case' 0 C--O 1.225 -0.203 0 O-C-N 124.296 0.998 . . . . 73.51 111.042 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.6 77.79 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 122.714 0.406 . . . . 75.42 111.206 177.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 25.9 t70 -77.81 -29.72 50.86 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.431 -0.804 . . . . 74.42 110.844 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.82 -46.04 92.08 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.538 1.135 . . . . 43.1 110.156 173.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.78 -36.27 75.6 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 115.114 -0.948 . . . . 71.12 110.795 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.89 -23.38 62.27 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.186 0.439 . . . . 64.33 112.186 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 41' ' ' ASP . 49.2 mt-10 -74.44 -27.82 60.77 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 122.87 0.468 . . . . 55.21 111.123 171.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.24 3.73 54.1 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.05 0.54 . . . . 43.44 112.08 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 67.9 27.01 7.39 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 123.029 1.395 . . . . 65.32 111.035 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -109.67 123.59 36.01 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 115.454 -0.794 . . . . 74.02 109.49 -176.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.21 124.69 15.3 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.466 2.111 . . . . 64.24 111.945 172.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.408 ' HD2' ' CZ ' ' A' ' 74' ' ' TYR . 45.7 t80 -93.29 130.48 39.0 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.645 -0.707 . . . . 74.35 110.013 -176.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -132.43 130.31 40.42 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.659 -0.701 . . . . 73.01 110.379 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -146.48 148.16 31.95 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.276 -1.009 . . . . 45.14 108.276 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -107.9 12.5 27.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.594 0.235 . . . . 64.11 111.052 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.52 168.65 18.02 Favored 'General case' 0 N--CA 1.462 0.126 0 N-CA-C 109.151 -0.685 . . . . 44.04 109.151 174.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 8.9 p-90 -68.95 152.55 45.13 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 120.921 0.391 . . . . 73.41 110.672 -176.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 p -135.15 -24.8 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 CA-C-O 120.975 0.416 . . . . 73.33 111.36 176.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.8 tp -142.06 124.0 15.31 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.904 0.383 . . . . 53.43 110.929 -172.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.56 99.85 6.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.387 -0.824 . . . . 63.33 109.797 174.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -99.96 113.8 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.9 0.381 . . . . 72.25 110.934 -174.092 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -101.0 118.93 37.97 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.726 0.774 . . . . 74.33 109.827 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t -119.54 145.51 46.3 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 114.305 -1.316 . . . . 71.13 109.205 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.6 mt -103.79 116.01 31.51 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.89 -0.324 . . . . 34.02 110.748 -176.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.496 ' O ' ' HB ' ' A' ' 66' ' ' THR . 29.5 t70 -115.21 97.25 6.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.41 0.624 . . . . 53.21 109.444 175.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.22 -116.92 4.49 Favored Glycine 0 N--CA 1.441 -1.001 0 N-CA-C 110.398 -1.081 . . . . 53.14 110.398 -172.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -115.41 16.22 16.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.724 0.773 . . . . 74.53 109.103 169.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.496 ' HB ' ' O ' ' A' ' 63' ' ' ASP . 3.2 m -87.42 128.05 35.21 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.434 -1.257 . . . . 73.33 111.0 -178.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -94.16 100.3 12.41 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.887 -1.051 . . . . 73.41 108.533 172.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -108.84 116.13 31.41 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.95 -0.568 . . . . 72.12 109.481 -175.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 38.2 tt0 -119.08 133.2 55.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.048 0.451 . . . . 72.44 110.714 -177.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 23.3 m-90 -108.88 124.88 51.34 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.754 -0.657 . . . . 54.24 109.275 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -107.96 119.17 38.7 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.513 0.673 . . . . 74.43 109.699 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -108.79 148.85 29.92 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.168 -0.924 . . . . 74.41 111.105 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.4 m -75.05 156.93 35.61 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 114.928 -1.033 . . . . 73.34 109.73 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.408 ' CZ ' ' HD2' ' A' ' 50' ' ' PHE . 63.7 t80 -60.93 -37.5 82.53 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.851 0.86 . . . . 73.23 110.085 175.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -25.69 64.98 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 124.276 0.985 . . . . 52.24 112.102 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.07 -34.68 43.47 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 121.121 0.486 . . . . 73.2 110.975 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.9 t -76.55 -24.6 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-N 115.624 -0.717 . . . . 62.35 111.204 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mmt -75.24 -38.83 60.41 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.189 -0.46 . . . . 74.22 111.815 175.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -81.71 -3.67 54.29 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.528 0.566 . . . . 74.13 112.528 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.93 117.37 6.31 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.366 0.603 . . . . 41.33 111.934 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -84.92 131.85 47.72 Favored Pre-proline 0 N--CA 1.439 -1.008 0 CA-C-N 114.424 -1.262 . . . . 74.42 110.776 -173.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -64.87 131.92 30.71 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 121.804 1.669 . . . . 63.03 111.709 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -88.88 173.15 8.67 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.772 -0.649 . . . . 62.13 111.641 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.51 -7.92 56.99 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.434 -0.803 . . . . 61.02 111.531 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -74.86 -23.02 58.36 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 114.923 -1.035 . . . . 73.2 110.703 171.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.44 -13.69 39.22 Favored Glycine 0 C--N 1.342 0.908 0 N-CA-C 114.747 0.659 . . . . 64.44 114.747 175.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -123.06 -30.04 3.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.02 0.41 . . . . 65.23 110.853 -177.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.6 m -86.44 151.89 23.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 73.21 111.436 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.56 ' CD1' HD13 ' A' ' 10' ' ' LEU . 72.0 m95 -126.81 146.95 50.06 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.873 -0.603 . . . . 61.32 110.487 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -95.54 99.78 11.62 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.858 -0.61 . . . . 72.3 110.62 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.42 106.04 18.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.976 -1.011 . . . . 74.41 108.996 177.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.1 p -110.33 110.27 21.01 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.501 0.667 . . . . 62.12 112.058 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 81.5 p -102.27 -173.27 2.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.022 -0.99 . . . . 70.04 109.953 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.77 -10.65 83.41 Favored Glycine 0 C--N 1.338 0.653 0 C-N-CA 121.284 -0.484 . . . . 73.0 112.436 172.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -85.66 -45.58 11.56 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.357 0.663 . . . . 71.13 109.964 177.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.77 -113.88 0.54 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.624 -0.798 . . . . 74.24 113.22 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -147.1 139.64 24.83 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.935 0.494 . . . . 63.24 110.677 -171.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -137.63 140.1 40.7 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 108.886 -0.783 . . . . 75.13 108.886 -178.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.513 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 43.7 tt0 -101.66 98.66 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.981 0.42 . . . . 63.33 109.934 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.465 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 33.2 mt -94.47 111.59 23.34 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.896 -0.409 . . . . 74.11 109.896 -179.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -119.59 115.64 24.4 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.704 -0.48 . . . . 64.2 109.704 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 77.0 m -83.71 122.83 29.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.233 -0.894 . . . . 71.43 110.974 -177.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 74.1 mt -118.94 158.61 25.39 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.968 -1.015 . . . . 71.32 111.358 -173.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 79.03 -176.51 54.68 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.889 -0.596 . . . . 74.3 112.688 -176.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.83 53.15 1.22 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.326 0.584 . . . . 61.41 110.079 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.2 t -129.34 126.03 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 N-CA-C 107.514 -1.291 . . . . 71.4 107.514 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.7 t -49.89 130.75 22.07 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 125.252 1.595 . . . . 72.13 112.022 175.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -111.68 135.73 51.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.183 -0.917 . . . . 73.23 110.807 -175.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.5 p -147.49 156.64 43.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.536 -0.756 . . . . 71.11 109.814 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 138.37 116.88 1.48 Allowed Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.582 -0.818 . . . . 72.31 112.77 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -146.17 -39.56 0.22 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.118 -0.697 . . . . 71.54 109.118 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -90.76 121.77 32.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.895 -1.048 . . . . 70.22 109.723 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.245 0.844 0 CA-C-O 118.497 -0.763 . . . . 74.32 111.512 179.821 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 112.36 -0.296 . . . . 63.3 112.36 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -95.21 94.71 8.06 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.973 -0.38 . . . . 74.02 109.973 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.41 70.72 6.02 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 122.188 0.994 . . . . 62.34 111.14 177.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 54.9 mtt -119.81 139.11 52.85 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 113.803 -1.544 . . . . 73.24 107.287 169.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.1 p -67.34 -41.25 85.51 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 123.781 0.676 . . . . 64.22 110.144 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.252 14.6 t 46.54 46.71 14.43 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.647 1.979 . . . . 65.24 114.349 169.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -76.07 87.4 2.97 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 108.336 -0.987 . . . . 74.44 108.336 167.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 -102.28 30.74 4.36 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.78 -0.452 . . . . 74.02 109.78 172.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.534 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 92.7 m-85 -68.63 163.13 24.45 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 124.154 0.909 . . . . 72.11 109.138 171.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' A' ' 89' ' ' TRP . 62.0 tp -58.55 -25.8 62.87 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 123.788 0.68 . . . . 71.25 112.342 178.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.483 HD11 HD22 ' A' ' 37' ' ' LEU . 65.1 tp -59.15 -39.15 81.53 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.697 0.799 . . . . 71.12 112.669 173.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -82.52 -31.69 29.07 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.756 0.312 . . . . 72.2 110.695 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 36.6 mm-40 -69.09 -30.85 69.24 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.333 -0.849 . . . . 73.5 111.941 -176.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.427 HD13 HD22 ' A' ' 32' ' ' LEU . 3.1 pp -74.89 -22.82 58.41 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.728 0.27 . . . . 63.2 111.728 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -74.09 -33.58 63.68 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.058 -0.519 . . . . 74.41 111.739 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.9 p -97.82 -3.74 38.21 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.043 -0.526 . . . . 63.15 111.942 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.25 127.73 33.83 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 122.565 0.346 . . . . 71.54 111.69 -176.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.18 -57.67 3.66 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.629 -0.878 . . . . 71.25 108.629 169.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.427 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 63.0 mtm -110.58 154.09 24.23 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.064 -0.971 . . . . 71.25 109.086 176.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.2 tp -132.01 119.13 20.64 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.068 -0.716 . . . . 73.3 109.068 175.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 11.7 tt0 -105.04 152.31 22.9 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 114.792 -1.095 . . . . 74.24 110.371 -174.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.592 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 12.8 tt -132.69 107.47 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-O 122.168 0.985 . . . . 71.31 111.027 174.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.1 t70 54.69 56.79 6.34 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 125.021 1.329 . . . . 61.34 112.069 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.02 14.91 76.24 Favored Glycine 0 CA--C 1.527 0.784 0 CA-C-N 115.553 -0.749 . . . . 73.55 113.854 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 tt -132.44 105.71 7.43 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 107.437 -1.319 . . . . 75.34 107.437 -176.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 28.7 p-80 -82.12 133.53 35.28 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 111.837 0.31 . . . . 71.14 111.837 -170.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.55 145.48 26.2 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.667 -0.242 . . . . 72.21 110.373 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 44.3 p-90 -90.9 -25.03 20.02 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.03 0.443 . . . . 62.43 110.116 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -135.57 135.73 40.54 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.861 -0.609 . . . . 73.32 109.45 -177.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -144.02 146.37 32.84 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.085 -0.961 . . . . 74.31 109.229 172.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -126.84 147.25 50.05 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.468 -0.787 . . . . 53.44 109.293 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD22 HD13 ' A' ' 14' ' ' LEU . 35.8 mt -117.72 144.39 45.33 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.257 -0.883 . . . . 61.45 109.023 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.628 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 48.6 t-20 -79.52 86.96 5.14 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.377 -0.972 . . . . 45.24 108.377 175.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -28.8 62.05 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.796 -1.093 . . . . 70.43 112.489 -172.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -59.56 -43.59 93.52 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.768 0.827 . . . . 73.11 111.491 173.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 tp -79.26 -23.44 43.65 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 114.875 -1.057 . . . . 63.11 111.035 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 20.1 mt -78.92 -28.55 43.89 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 111.995 0.369 . . . . 75.01 111.995 -179.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -63.73 -41.01 98.12 Favored 'General case' 0 C--O 1.219 -0.551 0 O-C-N 123.531 0.519 . . . . 72.41 109.726 172.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -71.87 -31.22 66.24 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.651 1.219 . . . . 62.13 112.416 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.22 -43.01 83.09 Favored 'General case' 0 CA--C 1.513 -0.471 0 O-C-N 123.662 0.601 . . . . 63.05 111.233 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -78.89 -31.98 45.66 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 124.063 0.852 . . . . 75.23 111.181 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 tt -56.57 -44.24 80.8 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.57 1.148 . . . . 54.34 111.047 173.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.65 -39.58 51.8 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 115.575 -0.739 . . . . 73.13 111.307 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.33 -30.16 69.06 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.663 0.616 . . . . 74.25 112.663 -177.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.44 -23.29 53.93 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 122.432 0.293 . . . . 64.41 111.503 174.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.31 8.34 27.92 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.387 -0.37 . . . . 74.3 111.646 174.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.4 t70 67.96 23.23 8.31 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 125.116 1.366 . . . . 62.44 111.409 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -106.29 129.95 23.72 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.238 -0.892 . . . . 75.02 110.019 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -64.7 131.42 29.33 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.779 2.319 . . . . 62.25 112.545 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -112.89 120.29 40.92 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.692 -0.484 . . . . 74.2 109.692 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.59 132.35 37.03 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.727 -0.472 . . . . 72.13 109.727 172.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -140.94 141.36 34.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.404 -0.816 . . . . 74.1 109.418 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -95.13 12.58 28.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.937 0.347 . . . . 63.43 111.937 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -81.65 164.99 21.43 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.439 -0.949 . . . . 74.34 108.439 172.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 10.7 p-90 -66.21 154.3 40.18 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 120.711 0.291 . . . . 73.22 110.335 -178.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.9 p -135.06 -22.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.215 0.531 . . . . 75.32 110.519 170.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.65 130.1 43.5 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 116.186 -0.461 . . . . 74.33 109.925 -174.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.36 108.72 8.87 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.013 -0.736 . . . . 43.31 109.013 166.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.434 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -104.8 118.45 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.47 -0.332 . . . . 64.21 110.394 178.057 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -107.9 125.8 51.91 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.159 -0.682 . . . . 74.43 109.159 173.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -125.85 152.25 45.76 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 115.187 -0.915 . . . . 52.35 110.407 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -101.48 105.21 16.18 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.818 0.818 . . . . 61.42 111.622 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.41 ' O ' ' HB ' ' A' ' 66' ' ' THR . 31.4 t70 -100.99 93.19 5.37 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.796 -1.093 . . . . 72.15 108.368 173.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.04 -102.25 1.9 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.819 -0.912 . . . . 43.23 110.819 -171.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -114.5 -13.43 12.2 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.316 0.647 . . . . 74.41 109.751 172.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 63' ' ' ASP . 92.7 m -66.72 114.69 5.81 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.237 1.415 . . . . 61.24 112.15 -175.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -89.86 99.17 12.23 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.515 -0.92 . . . . 72.31 108.515 171.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -107.4 124.72 50.26 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.968 -0.382 . . . . 71.23 109.968 -174.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 21.7 tt0 -112.91 128.34 56.44 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.326 0.584 . . . . 64.14 110.9 -175.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.434 ' HB2' HG23 ' A' ' 59' ' ' VAL . 20.5 m-90 -110.53 126.31 54.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.206 -0.906 . . . . 71.41 109.295 173.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -108.37 133.83 52.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.119 0.485 . . . . 65.55 110.276 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -122.99 136.89 55.03 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 115.261 -0.881 . . . . 74.33 109.452 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 38.4 m -77.93 161.26 27.69 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.096 0.873 . . . . 72.11 110.094 175.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -61.62 -36.43 80.73 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 124.023 0.827 . . . . 71.44 110.583 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -67.76 -34.81 77.53 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.157 -0.928 . . . . 73.34 111.712 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.23 -36.42 71.84 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.679 0.612 . . . . 55.41 111.657 177.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.9 t -69.56 -27.41 33.8 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 123.91 0.884 . . . . 52.54 111.979 175.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.1 mmt -69.65 -41.45 75.55 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.898 -0.137 . . . . 53.32 111.143 174.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -92.1 9.36 33.77 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 113.162 0.801 . . . . 73.23 113.162 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.33 124.96 24.14 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.069 0.461 . . . . 63.21 110.459 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.402 ' HB3' ' HB3' ' A' ' 90' ' ' ARG . 16.7 tt0 -79.51 128.73 74.08 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 114.327 -1.306 . . . . 75.52 111.12 -167.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -75.8 112.39 3.5 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.865 1.71 . . . . 61.43 111.548 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -78.72 166.13 22.82 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.949 -0.76 . . . . 72.23 108.949 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.53 -12.96 61.9 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.036 0.754 . . . . 74.24 113.036 -174.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.41 -24.73 59.14 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.514 0.726 . . . . 62.51 110.873 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.73 -16.37 15.24 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 114.782 0.673 . . . . 71.21 114.782 175.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 24.8 mt-10 -112.46 -23.17 10.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.357 -0.608 . . . . 62.13 109.357 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.6 m -85.87 133.57 33.95 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.04 -0.982 . . . . 72.51 110.301 175.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.531 ' O ' ' HA ' ' A' ' 99' ' ' GLN . 94.2 m95 -120.5 156.02 32.39 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.866 -0.607 . . . . 74.24 110.038 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.402 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 66.2 ttt180 -111.31 107.86 17.28 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.657 -0.497 . . . . 64.41 109.657 178.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -96.73 97.25 9.18 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.656 -0.868 . . . . 74.34 108.656 174.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.0 m -97.54 103.73 15.69 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.188 -0.671 . . . . 75.14 109.188 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.1 p -105.5 -174.06 2.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.489 -1.232 . . . . 65.31 110.238 -173.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.87 -19.75 79.75 Favored Glycine 0 C--N 1.342 0.875 0 O-C-N 123.401 0.438 . . . . 65.3 112.691 173.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -83.71 -47.44 11.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 122.389 0.276 . . . . 72.21 110.576 175.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.16 -170.45 42.53 Favored Glycine 0 C--N 1.34 0.801 0 N-CA-C 112.179 -0.368 . . . . 74.32 112.179 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.97 121.6 42.46 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.219 0.533 . . . . 71.43 110.756 -175.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.46 ' HB3' HD11 ' A' ' 22' ' ' ILE . 91.9 m-85 -117.52 130.66 56.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.191 -0.913 . . . . 62.45 110.027 -175.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.592 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 26.5 tt0 -92.12 103.89 16.33 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 120.952 -0.299 . . . . 71.23 111.473 -175.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.1 mt -90.14 111.38 22.5 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.8 -0.76 . . . . 70.22 109.252 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 13.8 ttp180 -117.93 121.8 41.63 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.281 -0.872 . . . . 64.25 109.176 -176.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 64.0 m -86.98 118.93 26.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.123 0.487 . . . . 45.2 110.825 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.427 ' HB2' ' HB2' ' A' ' 19' ' ' MET . 1.0 OUTLIER -110.73 136.38 49.88 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 108.548 -0.908 . . . . 64.24 108.548 -175.345 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 79.65 176.92 49.79 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.431 -0.89 . . . . 54.5 112.704 -177.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -152.62 112.08 3.89 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.811 0.338 . . . . 54.05 110.532 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.8 t -116.05 87.69 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.394 0 N-CA-C 108.473 -0.936 . . . . 53.53 108.473 169.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.0 t -165.89 124.54 1.58 Allowed 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 113.523 -1.671 . . . . 72.11 106.543 174.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.38 -64.53 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.097 -0.705 . . . . 52.5 109.097 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.0 m -145.19 7.95 1.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.842 -1.072 . . . . 75.45 108.657 169.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 157.88 -137.39 5.29 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 110.027 -1.229 . . . . 63.04 110.027 -172.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -128.09 -60.63 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 117.235 0.518 . . . . 61.52 111.378 176.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -140.49 -62.58 0.49 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.653 -0.249 . . . . 75.25 110.653 -176.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.8 -0.619 . . . . 62.34 110.076 -175.087 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.195 0 CA-C-O 119.513 -0.604 . . . . 53.52 111.871 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 59.76 -155.54 0.35 Allowed 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 125.339 1.456 . . . . 73.24 111.638 177.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -103.84 36.79 2.21 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 121.91 0.862 . . . . 71.14 109.935 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 66.5 mtm -120.24 109.82 15.85 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 121.601 -0.687 . . . . 53.35 110.702 174.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.5 p -72.09 -58.51 3.37 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.436 -0.802 . . . . 64.44 110.732 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.2 m -84.62 101.59 12.26 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 108.595 -0.891 . . . . 61.13 108.595 169.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -65.12 -35.29 80.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.236 -0.893 . . . . 75.23 111.505 176.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.444 ' HG2' ' OD2' ' A' ' 12' ' ' ASP . 32.3 mtt-85 61.1 75.41 0.41 Allowed 'General case' 0 CA--C 1.507 -0.704 0 O-C-N 125.051 1.469 . . . . 55.21 110.42 -171.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -72.26 170.76 13.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.88 -1.054 . . . . 64.13 108.482 172.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 59.8 tp -64.29 -23.61 67.36 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 117.993 0.36 . . . . 54.33 111.761 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.474 HD22 HD21 ' A' ' 37' ' ' LEU . 80.9 mt -68.68 -41.45 79.22 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 112.116 0.413 . . . . 74.54 112.116 172.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.444 ' OD2' ' HG2' ' A' ' 8' ' ' ARG . 22.9 t70 -69.88 -29.39 66.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.308 -0.405 . . . . 61.44 110.493 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.515 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 31.9 mm-40 -65.65 -54.01 33.5 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 123.835 0.854 . . . . 42.51 112.122 176.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 2.6 pp -69.72 -21.58 63.46 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.103 0.408 . . . . 64.3 112.103 -178.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -75.12 -31.14 61.04 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 112.955 0.724 . . . . 72.2 112.955 171.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.587 ' O ' ' HA ' ' A' ' 105' ' ' ALA . 40.2 p -100.56 15.0 29.49 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 121.624 -0.672 . . . . 73.24 111.234 178.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.02 147.23 52.44 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.04 0.448 . . . . 71.32 111.998 -176.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -107.39 -35.25 6.83 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.026 -0.988 . . . . 65.14 109.959 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.442 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 40.8 mtm -97.23 149.99 21.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.449 -0.796 . . . . 61.12 109.692 176.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.3 tp -152.35 121.45 6.66 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.361 -0.607 . . . . 74.0 109.361 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 36.1 mt-10 -108.46 152.85 24.15 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.278 -0.638 . . . . 54.22 109.278 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 9.4 tt -141.8 107.29 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-O 121.635 0.731 . . . . 72.14 111.249 -176.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 t70 60.85 28.58 18.33 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-O 122.389 1.09 . . . . 61.13 111.229 177.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.1 -9.96 61.63 Favored Glycine 0 CA--C 1.526 0.756 0 O-C-N 121.518 -0.739 . . . . 61.33 113.654 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 mt -102.45 118.83 37.7 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 109.718 -0.475 . . . . 74.05 109.718 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -81.67 124.96 30.03 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.041 -0.664 . . . . 75.44 110.693 -176.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.5 120.36 16.02 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.304 -0.628 . . . . 74.42 109.304 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.0 p-90 -82.01 -24.08 35.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.744 -0.662 . . . . 74.1 109.421 -176.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -150.68 135.0 17.04 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 114.804 -1.089 . . . . 65.43 108.53 173.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -129.48 158.12 40.11 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.276 -0.874 . . . . 64.15 109.26 171.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -128.72 146.03 51.0 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.307 -0.627 . . . . 75.34 109.307 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.9 mt -119.48 145.76 46.02 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.704 -0.68 . . . . 74.44 110.463 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -83.54 93.05 7.75 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.638 -0.875 . . . . 71.43 108.638 175.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -75.45 -20.97 58.51 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.598 0.592 . . . . 62.23 112.598 -173.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -67.35 -51.22 54.95 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 123.659 0.599 . . . . 61.11 110.171 172.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.9 tp -75.66 -23.79 56.29 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.698 -0.683 . . . . 74.32 111.354 -175.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.474 HD21 HD22 ' A' ' 11' ' ' LEU . 43.1 mt -83.16 -19.61 36.28 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 112.091 0.404 . . . . 74.3 112.091 175.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.4 -46.84 59.22 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.023 -0.732 . . . . 72.22 109.023 171.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -72.74 -25.66 61.28 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.935 0.772 . . . . 62.12 111.562 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.78 -43.01 80.76 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 123.219 0.608 . . . . 41.51 111.053 175.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.4 -40.61 70.39 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.151 -0.931 . . . . 71.32 110.71 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.6 tt -55.59 -49.68 72.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.935 1.294 . . . . 65.24 111.058 177.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.05 -39.15 75.87 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.801 -0.636 . . . . 71.45 111.399 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.3 -38.75 92.37 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.321 0.388 . . . . 52.4 111.793 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -65.31 -32.39 74.02 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.546 0.738 . . . . 73.44 111.131 174.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.92 12.3 9.57 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.953 -0.567 . . . . 74.14 112.31 177.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t70 71.49 12.55 6.53 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 125.87 1.668 . . . . 72.45 112.128 174.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -103.45 124.94 36.39 Favored Pre-proline 0 C--N 1.316 -0.88 0 O-C-N 121.658 -0.651 . . . . 74.12 109.841 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -62.7 125.34 15.86 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 121.831 1.687 . . . . 71.44 110.89 169.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -87.44 131.03 34.46 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 108.758 -0.83 . . . . 72.12 108.758 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.33 118.86 20.91 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.481 -0.781 . . . . 74.42 110.091 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.0 m -142.2 143.48 32.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.442 -0.799 . . . . 63.31 109.365 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -102.86 15.44 29.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.743 -0.208 . . . . 75.05 111.356 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.33 170.08 17.03 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 108.773 -0.825 . . . . 74.54 108.773 172.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -72.69 154.15 40.85 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 109.429 -0.582 . . . . 74.5 109.429 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.7 p -135.55 -26.08 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 C-N-CA 120.347 -0.541 . . . . 71.15 111.651 174.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.7 tp -141.48 121.71 13.89 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.98 0.419 . . . . 70.41 110.968 -172.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.26 102.18 9.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.635 -0.711 . . . . 54.04 109.5 175.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.3 m -101.29 121.72 52.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.119 0.485 . . . . 62.02 110.176 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -112.6 124.32 52.28 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.242 -0.436 . . . . 64.22 109.874 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.0 t -122.18 142.11 50.75 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.385 -0.968 . . . . 64.33 108.385 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.8 mt -79.02 130.5 35.59 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.817 -0.753 . . . . 72.23 109.207 173.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -123.16 100.26 6.77 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.453 -0.943 . . . . 73.45 108.453 -175.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.36 -87.66 1.44 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.896 -0.882 . . . . 63.13 110.896 -171.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.5 ptt-85 -142.46 -0.62 1.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.206 0.602 . . . . 73.32 111.204 175.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 t -104.26 173.19 6.41 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 110.182 -0.303 . . . . 65.35 110.182 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.41 124.36 49.48 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.807 0.813 . . . . 75.54 110.28 176.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -114.04 116.34 29.02 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.548 -1.205 . . . . 70.4 108.254 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.448 ' OE2' ' HD2' ' A' ' 71' ' ' ARG . 34.6 tt0 -120.06 124.01 44.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.867 0.365 . . . . 61.1 111.452 -171.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 14.6 m-90 -108.82 129.06 55.39 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 115.53 -0.759 . . . . 73.15 109.135 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.448 ' HD2' ' OE2' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -112.22 122.73 48.55 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.964 -0.754 . . . . 75.1 108.964 177.178 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -103.48 130.64 50.89 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 114.799 -1.091 . . . . 70.34 109.412 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.0 m -68.15 152.63 45.19 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 114.671 -1.15 . . . . 71.34 109.014 172.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -56.92 -39.35 74.3 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.512 0.725 . . . . 72.51 110.684 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -65.36 -37.77 88.06 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.937 0.895 . . . . 71.32 111.952 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.94 -36.45 72.61 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.048 0.539 . . . . 63.51 111.443 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.412 HG13 HD23 ' A' ' 10' ' ' LEU . 25.5 t -67.28 -30.3 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 123.814 0.846 . . . . 65.35 112.103 175.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mmt -70.86 -42.13 70.5 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.419 0.288 . . . . 54.0 111.475 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -88.56 6.18 39.24 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.638 0.607 . . . . 74.11 112.638 -176.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.36 131.96 49.97 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.29 0.567 . . . . 74.3 111.453 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.468 ' HB3' ' HB3' ' A' ' 90' ' ' ARG . 16.0 tt0 -78.62 124.96 85.14 Favored Pre-proline 0 N--CA 1.441 -0.919 0 CA-C-N 114.115 -1.402 . . . . 72.24 110.703 -171.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -70.84 131.79 20.38 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 121.609 1.539 . . . . 65.3 110.846 173.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -98.8 170.46 8.75 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.211 -0.449 . . . . 70.31 110.114 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.44 -9.76 58.89 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.169 0.509 . . . . 62.54 111.742 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.65 -24.38 45.26 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.589 -0.732 . . . . 63.41 110.646 175.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.36 -18.4 4.44 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 115.502 0.961 . . . . 65.41 115.502 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 41.0 mt-10 -110.65 -27.74 8.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 118.134 0.967 . . . . 73.25 109.626 177.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.9 m -85.46 143.46 28.55 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.2 -0.909 . . . . 73.31 110.577 177.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.521 ' O ' ' HA ' ' A' ' 99' ' ' GLN . 82.3 m95 -131.76 150.14 52.25 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 115.605 -0.725 . . . . 73.23 110.197 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.468 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 53.6 ttt180 -108.26 99.39 8.81 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.104 0.478 . . . . 73.54 109.927 -176.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.404 HD21 ' CD2' ' A' ' 10' ' ' LEU . 3.7 mm? -91.65 100.6 13.3 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-N 115.264 -0.88 . . . . 53.32 109.986 178.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.8 m -101.62 110.07 21.99 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.953 0.882 . . . . 61.45 109.499 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 82.8 p -109.83 -172.05 1.96 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 113.541 -1.663 . . . . 74.02 110.295 -172.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.4 -5.35 89.85 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-N 116.359 -0.382 . . . . 64.52 112.472 171.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -92.01 -46.46 7.79 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.079 0.552 . . . . 75.51 109.991 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.15 -128.17 1.43 Allowed Glycine 0 C--O 1.22 -0.753 0 C-N-CA 121.244 -0.503 . . . . 75.41 112.931 -179.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -140.8 119.83 12.77 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 123.323 0.649 . . . . 72.31 109.41 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.454 ' HB3' ' CG1' ' A' ' 22' ' ' ILE . 69.0 m-85 -122.48 122.94 40.12 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 122.912 0.485 . . . . 71.13 110.176 -173.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' A' ' 89' ' ' TRP . 17.0 tt0 -94.45 108.2 20.14 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.384 -0.526 . . . . 61.43 111.532 -174.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.474 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 49.4 mt -92.44 109.76 21.16 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.383 -0.372 . . . . 75.22 111.068 -178.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 33.1 ttp180 -112.44 115.41 28.64 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.603 0.716 . . . . 74.12 109.981 178.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 14.7 m -90.58 125.25 35.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.239 -1.346 . . . . 52.24 111.161 -174.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 19' ' ' MET . 2.9 mt -124.72 161.69 25.83 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 109.118 -0.697 . . . . 64.44 109.118 176.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.48 -173.17 36.86 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.753 -0.737 . . . . 40.33 112.404 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.587 ' HA ' ' O ' ' A' ' 16' ' ' THR . . . -152.03 36.32 0.54 Allowed 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.016 0.747 . . . . 61.24 113.016 -175.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.6 t -138.91 112.92 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.818 -0.551 . . . . 70.12 111.131 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.0 148.2 8.44 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 124.687 1.242 . . . . 60.01 110.116 163.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -146.58 111.12 5.19 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.141 -0.482 . . . . 72.42 110.667 176.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.3 m -121.6 142.19 50.36 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 122.578 0.351 . . . . 55.32 110.643 175.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.9 68.81 0.1 Allowed Glycine 0 CA--C 1.509 -0.332 0 C-N-CA 121.002 -0.618 . . . . 43.31 111.955 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -139.14 19.86 2.61 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.408 0.521 . . . . 62.41 112.408 -175.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -157.1 127.9 6.66 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 121.044 -0.262 . . . . 63.11 111.473 -173.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--O 1.245 0.818 0 CA-C-O 118.663 -0.684 . . . . 55.43 111.592 -176.801 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 112.024 -0.431 . . . . 72.32 112.024 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 p -89.29 61.39 5.68 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.494 0.664 . . . . 73.44 111.528 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.76 -29.62 51.1 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.933 -0.576 . . . . 73.11 109.913 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 72.5 mtm -84.5 106.8 16.35 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.054 -1.091 . . . . 63.05 108.054 166.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -19.17 54.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.072 -0.967 . . . . 74.25 111.281 -174.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.9 m -87.13 101.57 13.62 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 108.987 -0.746 . . . . 64.4 108.987 170.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -77.32 96.75 4.68 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.812 0.695 . . . . 74.53 110.526 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -101.7 82.61 2.3 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 108.949 -0.76 . . . . 63.31 108.949 -176.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -99.85 166.19 11.2 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 113.853 -1.521 . . . . 74.11 108.678 175.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.8 tp -68.4 -32.36 72.35 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.222 -0.659 . . . . 74.21 109.222 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.464 HD11 HD22 ' A' ' 37' ' ' LEU . 63.5 tp -61.12 -35.71 77.77 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 124.548 1.155 . . . . 72.53 111.952 174.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -70.82 -41.1 71.99 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.118 0.567 . . . . 61.34 111.156 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -80.41 -31.52 37.62 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 113.822 1.045 . . . . 75.14 113.822 -170.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -69.59 -21.81 63.57 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.329 0.492 . . . . 75.23 112.329 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.97 -36.77 75.48 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.795 -0.639 . . . . 73.1 111.757 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 105' ' ' ALA . 17.2 p -107.2 -11.03 15.69 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.53 0.937 . . . . 74.13 113.53 -172.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.03 163.25 27.33 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.309 0.576 . . . . 72.51 112.127 -176.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -119.24 -42.83 2.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.311 -0.859 . . . . 54.54 109.71 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.0 ttp -112.89 130.54 56.07 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.527 -0.76 . . . . 72.05 109.351 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.9 tp -131.47 117.3 18.63 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.141 -0.688 . . . . 75.35 109.141 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 25.8 mt-10 -98.06 154.83 17.45 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.566 -0.743 . . . . 60.31 110.535 -175.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.624 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 14.9 tt -134.11 107.74 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 CA-C-O 122.253 1.025 . . . . 72.23 110.569 176.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.432 ' HA ' ' HB3' ' A' ' 99' ' ' GLN . 21.7 t70 61.82 28.82 17.69 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 125.252 1.421 . . . . 72.31 111.064 -177.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.68 -10.02 66.48 Favored Glycine 0 C--N 1.335 0.525 0 CA-C-N 115.77 -0.65 . . . . 60.14 113.058 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -95.39 108.31 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.984 -1.117 . . . . 75.13 107.984 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 30.6 p-80 -75.15 144.0 42.99 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.042 0.214 . . . . 71.44 110.956 -175.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.19 140.14 34.86 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.012 -0.366 . . . . 63.11 110.012 175.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -80.44 -26.8 38.16 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.638 0.586 . . . . 74.35 110.153 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -141.14 134.78 30.12 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 114.718 -1.128 . . . . 75.04 108.558 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 22.1 p90 -129.75 138.19 50.96 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 108.237 -1.023 . . . . 75.42 108.237 170.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.427 ' HB3' ' H ' ' A' ' 111' ' ' GLU . 8.6 mt-10 -116.84 145.36 43.61 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 114.993 -1.003 . . . . 53.03 110.201 -173.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.5 mt -115.93 148.7 39.77 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.211 -0.904 . . . . 73.41 109.24 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.455 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 45.8 t-20 -84.4 103.89 13.95 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.861 -1.163 . . . . 73.3 107.861 174.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -68.56 -43.46 76.54 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.619 1.199 . . . . 72.2 111.924 -167.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -71.78 -37.67 70.43 Favored 'General case' 0 C--O 1.225 -0.214 0 O-C-N 123.994 0.809 . . . . 72.32 111.75 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.5 tp -75.56 -25.38 57.05 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.584 0.552 . . . . 74.12 111.122 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.464 HD22 HD11 ' A' ' 11' ' ' LEU . 36.9 mt -83.07 -20.65 34.53 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 112.338 0.496 . . . . 73.44 112.338 178.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.37 -41.48 84.97 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.925 0.766 . . . . 65.34 109.357 170.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -74.14 -30.26 62.2 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 115.175 -0.92 . . . . 64.14 110.847 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.84 89.98 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 123.293 0.637 . . . . 63.43 111.865 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -79.05 -30.32 44.01 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 115.629 -0.714 . . . . 44.21 110.661 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.55 -48.68 80.72 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.339 1.056 . . . . 74.44 110.664 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.7 -37.31 70.68 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.958 0.786 . . . . 52.24 111.322 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.86 -35.94 82.73 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 123.461 0.476 . . . . 45.22 112.099 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -76.95 -13.3 59.99 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.111 0.564 . . . . 73.01 112.072 176.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.54 15.78 25.43 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.538 0.335 . . . . 70.53 110.904 173.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.0 t70 77.86 -4.59 2.22 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 126.001 1.72 . . . . 72.1 112.555 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -87.71 140.02 31.41 Favored Pre-proline 0 C--N 1.322 -0.608 0 O-C-N 121.376 -0.828 . . . . 63.22 111.121 -175.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -71.85 126.13 11.66 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 121.692 1.594 . . . . 74.32 110.105 164.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.421 ' HD2' ' CE2' ' A' ' 74' ' ' TYR . 50.3 t80 -80.72 136.11 36.11 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.514 -0.55 . . . . 73.24 109.514 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -125.43 124.85 42.34 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.79 -0.641 . . . . 75.32 110.098 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.9 t -147.62 140.65 25.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.17 0.509 . . . . 53.21 110.256 173.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -104.83 8.06 34.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.591 -0.731 . . . . 73.21 110.933 178.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.47 166.79 16.04 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.325 -0.991 . . . . 74.03 108.325 174.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 6.3 p-90 -67.53 153.15 44.36 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-O 121.022 0.439 . . . . 74.02 111.047 -175.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.92 -23.74 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-O 121.029 0.442 . . . . 62.21 111.363 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.501 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 0.9 OUTLIER -130.89 125.64 34.06 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 109.618 -0.512 . . . . 73.04 109.618 -169.873 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.444 ' O ' ' HA ' ' A' ' 30' ' ' PHE . . . -127.41 106.66 9.35 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 123.288 0.368 . . . . 72.14 110.695 174.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.26 106.1 19.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 109.557 -0.535 . . . . 73.13 109.557 176.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -101.69 132.31 47.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.452 -0.573 . . . . 73.23 109.452 176.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.1 t -137.75 134.76 35.67 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.019 -0.991 . . . . 71.32 109.882 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.49 ' HA ' ' O ' ' A' ' 66' ' ' THR . 9.1 mp -79.43 111.33 15.58 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.314 -0.624 . . . . 65.11 109.314 171.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -103.85 97.78 7.73 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.249 -1.019 . . . . 41.12 108.249 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.09 -89.96 1.39 Allowed Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.312 -1.115 . . . . 65.41 110.312 -168.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -133.68 -6.52 2.84 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 122.497 0.319 . . . . 72.04 111.419 175.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 15.0 t -95.28 145.1 25.32 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 121.081 0.467 . . . . 74.42 111.788 -173.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -90.09 101.16 13.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.337 0.589 . . . . 74.11 109.65 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -97.56 115.13 27.26 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.046 -0.979 . . . . 65.43 109.248 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -117.26 133.12 56.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.639 -0.71 . . . . 71.31 110.62 -176.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 20.7 m-90 -112.97 123.63 50.77 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.467 -0.938 . . . . 71.2 108.467 171.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.501 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 15.3 mtm180 -116.82 124.88 50.63 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-O 121.657 0.741 . . . . 72.14 111.071 176.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -110.35 150.02 29.39 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-N 114.15 -1.386 . . . . 74.24 110.428 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.8 p -78.11 164.76 24.72 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 124.196 0.935 . . . . 64.25 110.001 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.421 ' CE2' ' HD2' ' A' ' 50' ' ' PHE . 91.0 t80 -66.03 -39.94 90.61 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.923 0.764 . . . . 54.34 112.08 -175.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -76.68 -18.29 58.63 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 112.766 0.654 . . . . 73.14 112.766 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.38 -32.28 71.21 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 123.437 0.461 . . . . 72.14 110.607 170.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.0 t -76.39 -28.13 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 123.434 0.694 . . . . 71.32 110.804 172.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.4 mmt -67.15 -42.69 83.94 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 122.471 0.308 . . . . 73.3 111.37 175.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -90.48 7.69 37.6 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 123.563 0.54 . . . . 75.55 112.454 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.05 124.76 21.43 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 123.514 0.509 . . . . 70.12 111.01 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.435 ' OE1' ' HD3' ' A' ' 90' ' ' ARG . 36.2 mt-10 -92.5 122.13 64.97 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.044 -0.98 . . . . 71.13 110.686 -171.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -70.89 115.04 4.08 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 122.272 1.981 . . . . 53.22 111.667 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -74.88 172.75 11.68 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.491 -0.777 . . . . 75.05 110.529 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.08 -4.93 41.41 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.752 -0.658 . . . . 73.33 112.38 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -76.54 -23.98 53.62 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.961 0.504 . . . . 73.2 111.231 173.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.45 -15.13 36.78 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 115.054 0.781 . . . . 74.33 115.054 176.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -120.68 -10.25 9.22 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 117.874 0.837 . . . . 73.14 109.543 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.5 t -99.03 146.92 25.55 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.402 -0.817 . . . . 74.4 110.601 -174.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -131.57 142.09 49.83 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.578 -0.737 . . . . 71.42 110.462 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HD3' ' OE1' ' A' ' 81' ' ' GLU . 34.3 ttt180 -97.1 107.16 19.63 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.845 -0.798 . . . . 71.03 108.845 171.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.89 100.23 13.12 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.448 -0.945 . . . . 70.41 108.448 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 t -91.09 129.31 37.1 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.873 0.844 . . . . 72.11 109.697 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.4 p -129.72 178.97 6.11 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.224 -1.353 . . . . 35.01 109.031 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.76 -12.62 84.28 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.939 -0.648 . . . . 44.5 111.636 169.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -78.51 -45.76 21.19 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 123.27 0.628 . . . . 72.11 110.008 174.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.24 -113.14 0.52 Allowed Glycine 0 N--CA 1.447 -0.588 0 O-C-N 123.39 0.431 . . . . 63.35 112.17 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.4 136.77 17.66 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 123.694 0.798 . . . . 35.34 109.967 -173.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -139.72 122.97 16.98 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.722 -0.672 . . . . 71.22 109.804 -175.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.624 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 18.6 tt0 -83.69 103.53 13.07 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.705 -0.622 . . . . 74.34 111.36 -178.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 32.5 mt -92.17 111.0 22.39 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.12 -0.632 . . . . 74.51 109.51 176.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -114.7 115.64 27.41 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-O 121.072 0.463 . . . . 74.34 110.132 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 23.2 m -83.43 131.04 35.05 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 114.925 -1.034 . . . . 72.11 110.276 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 25.2 mt -138.07 145.86 42.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.46 -0.791 . . . . 70.54 109.662 -178.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 82.0 167.04 38.79 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 121.194 -0.527 . . . . 71.31 114.19 172.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' A' ' 16' ' ' THR . . . -146.28 86.17 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.199 0.523 . . . . 73.14 110.915 -177.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.6 t -121.82 -17.06 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-N 115.663 -0.699 . . . . 75.42 109.944 174.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.0 t 63.77 96.61 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.216 1.406 . . . . 64.34 111.55 -174.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -113.66 143.29 44.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.924 -0.58 . . . . 72.11 111.667 -173.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 69.3 m -116.99 -174.59 2.61 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.316 -0.856 . . . . 72.4 110.67 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -154.68 -136.04 2.17 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 120.275 -0.964 . . . . 73.21 114.32 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.427 ' H ' ' HB3' ' A' ' 31' ' ' GLU . 9.9 mt-10 67.01 39.74 3.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.067 1.347 . . . . 64.12 113.161 -173.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -87.8 90.36 8.35 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 106.82 -1.548 . . . . 64.41 106.82 165.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--O 1.243 0.711 0 CA-C-N 114.388 -1.278 . . . . 75.45 110.148 -166.131 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.972 0 N-CA-C 111.958 -0.457 . . . . 75.42 111.958 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.494 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 15.4 m -106.57 31.19 5.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.16 0.505 . . . . 70.45 112.037 -174.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -113.37 4.28 16.27 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.579 0.704 . . . . 73.22 109.609 172.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.8 ptm -73.61 122.0 21.58 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.428 -0.953 . . . . 52.22 108.428 170.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.93 -61.49 1.78 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.508 -0.769 . . . . 63.51 110.626 -172.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 62.08 26.72 16.11 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 124.258 1.023 . . . . 72.31 111.079 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 51.99 -117.68 1.18 Allowed 'General case' 0 C--N 1.348 0.529 0 CA-C-O 117.216 -1.374 . . . . 75.34 108.787 -165.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 38.96 68.24 0.37 Allowed 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.009 1.724 . . . . 73.4 113.892 164.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.535 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 95.9 m-85 -77.77 150.36 34.35 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.661 -1.154 . . . . 73.12 108.191 177.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.498 HD13 ' CD1' ' A' ' 89' ' ' TRP . 55.9 tp -61.9 -27.77 69.05 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 117.798 0.272 . . . . 71.33 110.866 176.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.616 HD11 HD22 ' A' ' 37' ' ' LEU . 38.0 tp -65.74 -35.83 81.84 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 123.532 0.52 . . . . 75.53 111.808 172.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.58 -32.67 62.46 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.022 0.529 . . . . 64.03 110.782 176.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 52.5 mm-40 -68.07 -40.26 82.76 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.702 0.626 . . . . 72.15 112.292 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.501 HD13 HD22 ' A' ' 32' ' ' LEU . 3.5 pp -75.07 -22.06 58.58 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.642 0.589 . . . . 71.33 111.969 -175.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -71.3 -22.72 61.91 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.563 -0.744 . . . . 73.03 112.103 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.559 ' O ' ' HA ' ' A' ' 105' ' ' ALA . 4.3 p -123.62 27.91 7.18 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.861 -0.609 . . . . 71.34 110.709 -178.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.68 142.95 40.13 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.974 0.416 . . . . 73.03 111.857 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.49 ' HA ' HG12 ' A' ' 106' ' ' VAL . 27.7 t70 -99.12 -46.03 5.71 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 115.385 -0.825 . . . . 62.2 110.798 174.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.8 ttp -124.3 129.79 51.36 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.461 -0.57 . . . . 60.11 109.461 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.1 tp -114.15 125.13 53.6 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.274 -0.639 . . . . 73.11 109.274 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 10.3 tt0 -101.79 151.09 22.47 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.993 -1.003 . . . . 63.05 111.141 -172.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 23.9 mt -124.85 96.83 4.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 123.471 0.708 . . . . 64.45 109.814 169.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 t70 49.98 63.88 2.01 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.501 1.52 . . . . 64.41 113.009 174.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.01 -23.19 6.11 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 115.478 -0.783 . . . . 74.05 114.423 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 tt -105.21 107.57 18.63 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.06 -1.089 . . . . 74.12 108.06 -177.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 48.5 p-80 -78.96 143.37 35.82 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.697 -0.801 . . . . 72.11 110.762 -177.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.07 134.18 35.03 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.195 -1.039 . . . . 75.21 108.195 173.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.1 p-90 -73.17 -26.83 61.33 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.762 0.315 . . . . 74.42 110.758 -174.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -139.01 140.33 38.13 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.363 -0.606 . . . . 73.54 109.363 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -141.01 144.63 35.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.201 0.524 . . . . 73.13 109.621 173.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -127.38 139.54 52.78 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.744 -0.662 . . . . 74.12 110.095 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.501 HD22 HD13 ' A' ' 14' ' ' LEU . 48.5 mt -102.66 139.03 38.78 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.835 -1.075 . . . . 63.05 108.292 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.581 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 49.5 t-20 -79.46 89.71 5.04 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 108.172 -1.047 . . . . 65.32 108.172 172.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.78 -21.71 57.13 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 123.909 0.756 . . . . 75.12 111.985 -170.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -70.24 -40.44 74.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.99 0.806 . . . . 71.03 110.297 174.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.9 tp -76.5 -26.78 55.63 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.815 -0.63 . . . . 53.11 111.06 177.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.616 HD22 HD11 ' A' ' 11' ' ' LEU . 25.5 mt -84.07 -17.14 41.26 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.744 0.307 . . . . 75.34 111.664 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.83 -34.46 71.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.494 -0.776 . . . . 72.55 109.316 171.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -83.75 -28.69 28.02 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 114.761 -1.109 . . . . 65.53 111.133 177.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.1 81.81 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.03 0.443 . . . . 74.11 110.825 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -77.09 -35.02 56.82 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 114.889 -1.05 . . . . 72.32 110.336 177.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.8 -45.16 93.19 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.083 0.953 . . . . 74.21 110.703 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.06 93.13 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.455 -0.793 . . . . 61.14 111.278 178.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.61 68.18 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.466 0.543 . . . . 72.53 112.466 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -70.47 -32.22 69.67 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.152 0.581 . . . . 74.44 110.835 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.19 8.7 31.69 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.858 -0.61 . . . . 45.32 112.375 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t70 68.38 24.93 7.1 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.664 1.186 . . . . 53.33 111.378 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -107.62 137.93 19.84 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.539 -0.755 . . . . 74.44 109.985 -177.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.27 124.62 7.93 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.112 1.875 . . . . 52.25 111.444 173.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -94.89 134.8 37.14 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.704 -0.48 . . . . 74.31 109.704 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.72 131.16 18.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.462 -0.79 . . . . 61.01 109.31 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 71.1 m -145.89 132.73 20.1 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 121.11 0.481 . . . . 52.2 111.311 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -82.08 -1.46 48.63 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.871 -0.604 . . . . 73.21 111.947 175.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.78 163.86 27.4 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 109.597 -0.52 . . . . 73.34 109.597 171.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.3 p-90 -72.27 151.89 42.51 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.742 0.417 . . . . 74.13 110.834 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.408 ' CG2' HD21 ' A' ' 37' ' ' LEU . 10.6 p -131.13 -26.35 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.02 0.438 . . . . 64.33 110.91 172.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.71 129.42 47.09 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.346 -0.388 . . . . 73.51 110.878 -175.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -129.3 100.85 5.74 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.828 0.823 . . . . 75.11 109.547 171.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.51 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -103.12 126.93 57.37 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 114.108 -1.405 . . . . 65.51 108.721 -179.619 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -121.99 144.5 48.85 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.297 0.57 . . . . 71.02 110.912 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 t -140.72 119.54 12.57 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.076 -0.965 . . . . 64.41 109.611 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 66' ' ' THR . 6.3 mp -89.09 106.49 18.47 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.963 -0.695 . . . . 75.35 109.595 174.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -105.07 107.6 18.67 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.992 -1.114 . . . . 72.02 107.992 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.94 -93.82 1.19 Allowed Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.17 -1.172 . . . . 72.43 110.17 -169.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -130.83 -16.02 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 122.792 0.437 . . . . 74.51 110.971 173.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 6.1 t -77.28 135.41 38.42 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.409 0.623 . . . . 74.35 110.944 -173.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 63.2 ttt-85 -95.81 105.66 17.7 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.906 -0.588 . . . . 74.14 109.518 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.96 112.73 24.79 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.695 -0.684 . . . . 73.25 109.16 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -113.43 126.06 54.92 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.092 0.472 . . . . 60.13 109.746 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.51 ' HB2' HG23 ' A' ' 59' ' ' VAL . 8.9 m-90 -108.18 123.22 48.41 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.063 -0.971 . . . . 62.12 108.504 172.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -111.45 117.33 32.74 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.903 -0.777 . . . . 65.54 108.903 174.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -104.27 138.94 39.98 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.925 -1.034 . . . . 65.42 109.725 -177.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.4 m -72.95 156.81 38.47 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.937 0.773 . . . . 75.52 110.307 176.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -64.85 -36.22 83.64 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.128 -0.487 . . . . 64.02 110.573 175.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -66.82 -30.51 70.72 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.034 -0.985 . . . . 72.44 110.825 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.56 -24.39 53.57 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 123.684 0.615 . . . . 73.12 111.815 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.5 t -82.18 -25.88 9.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.236 0.614 . . . . 50.2 110.877 175.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.8 mmt -71.85 -33.76 68.71 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.124 -0.489 . . . . 71.23 111.499 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -91.84 4.17 53.48 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.519 0.563 . . . . 64.54 112.519 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.48 115.37 4.18 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.949 0.404 . . . . 61.12 111.915 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 2' ' ' SER . 50.3 mt-10 -85.23 123.85 72.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 114.869 -1.06 . . . . 72.21 111.61 -168.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -63.37 117.0 3.96 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 123.08 2.52 . . . . 70.45 113.34 175.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -75.94 170.4 16.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.981 -0.554 . . . . 72.32 109.771 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.01 -7.13 53.94 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.815 -0.63 . . . . 55.25 111.364 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -74.95 -25.7 59.07 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.127 -0.942 . . . . 61.43 110.402 171.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.58 -19.14 5.1 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 115.339 0.895 . . . . 73.04 115.339 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -112.53 -16.25 12.9 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 118.118 0.959 . . . . 74.21 110.598 177.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.4 m -96.17 143.31 27.4 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.566 -0.743 . . . . 73.43 110.451 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.498 ' CD1' HD13 ' A' ' 10' ' ' LEU . 62.1 m95 -129.89 130.43 45.17 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 115.03 -0.986 . . . . 71.4 109.642 -174.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -84.09 104.9 14.53 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.135 -0.691 . . . . 70.4 109.135 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.42 99.18 11.98 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 108.236 -1.024 . . . . 62.42 108.236 178.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.6 p -83.42 133.34 34.93 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-O 121.362 0.601 . . . . 54.21 110.257 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.3 p -131.67 -178.72 4.99 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.73 -1.123 . . . . 71.35 109.491 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.3 -13.65 82.63 Favored Glycine 0 C--O 1.222 -0.61 0 N-CA-C 111.878 -0.489 . . . . 73.11 111.878 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -85.98 -41.66 14.69 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 122.881 0.473 . . . . 71.51 110.944 175.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 171.18 -116.01 0.61 Allowed Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.929 -0.653 . . . . 61.01 112.825 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -155.48 121.65 5.16 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 122.939 0.496 . . . . 70.03 111.003 -176.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -109.34 164.36 12.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.57 -0.741 . . . . 73.01 110.579 -176.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.523 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 24.8 tt0 -111.05 104.2 12.74 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.054 -0.521 . . . . 71.53 109.722 173.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 32.8 mt -92.86 116.78 29.35 Favored 'General case' 0 C--O 1.21 -1.026 0 N-CA-C 109.105 -0.702 . . . . 72.51 109.105 175.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -121.2 121.89 38.77 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 121.521 0.677 . . . . 65.03 110.651 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 3.3 p -83.72 116.13 22.52 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.233 -1.349 . . . . 72.42 111.467 -176.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.3 mt -119.88 132.44 55.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.059 -0.973 . . . . 71.12 110.277 -176.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 85.52 -172.45 46.74 Favored Glycine 0 C--O 1.228 -0.265 0 C-N-CA 120.851 -0.69 . . . . 42.54 114.146 176.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.559 ' HA ' ' O ' ' A' ' 16' ' ' THR . . . -149.12 113.39 5.23 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 122.613 0.365 . . . . 42.13 111.326 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 18' ' ' ASP . 1.4 p -173.69 178.24 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 N-CA-C 106.442 -1.688 . . . . 63.44 106.442 175.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.3 m 78.29 170.55 0.2 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.32 1.448 . . . . 72.14 112.81 169.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -171.63 167.17 6.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.635 -1.166 . . . . 72.0 108.536 170.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.2 p -115.92 145.14 43.16 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.197 0.523 . . . . 73.13 111.661 174.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 174.52 119.44 0.55 Allowed Glycine 0 N--CA 1.439 -1.12 0 CA-C-N 115.286 -0.87 . . . . 64.54 111.63 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -123.98 -44.87 2.03 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 118.897 -0.573 . . . . 71.43 112.115 -176.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 19.8 t70 61.91 100.37 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.099 1.36 . . . . 71.54 110.917 -173.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--O 1.256 1.433 0 CA-C-N 115.374 -0.83 . . . . 64.14 112.278 -179.44 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.163 0 N-CA-C 112.111 -0.396 . . . . 74.23 112.111 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 m -81.55 105.89 13.07 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 123.885 0.403 . . . . 74.13 111.236 -176.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.6 m80 68.8 21.42 7.71 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 125.108 1.363 . . . . 55.52 112.205 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.9 ptm -145.91 122.04 10.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.123 0.487 . . . . 55.55 110.451 -176.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.41 -46.59 7.59 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.923 -0.58 . . . . 63.2 110.095 174.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.5 m -77.1 103.41 7.02 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 108.028 -1.101 . . . . 72.2 108.028 169.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -70.13 -27.53 64.64 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.164 -0.926 . . . . 72.02 112.342 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 67.59 100.55 0.05 Allowed 'General case' 0 CA--C 1.499 -1.011 0 O-C-N 125.698 1.873 . . . . 72.11 109.067 -168.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -97.29 -177.92 4.0 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.102 -1.408 . . . . 54.13 107.203 169.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.52 HD13 ' CD1' ' A' ' 89' ' ' TRP . 42.8 tp -66.83 -26.91 67.15 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.383 -0.527 . . . . 74.01 110.153 173.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.0 tp -56.65 -47.52 79.59 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 123.906 0.754 . . . . 73.11 111.783 172.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.81 -29.59 69.57 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.802 0.441 . . . . 74.05 111.574 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.502 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 9.8 mm-40 -88.11 -29.1 20.85 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.947 0.721 . . . . 71.01 112.947 -174.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 3.3 pp -77.2 -20.47 55.31 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.316 0.507 . . . . 73.25 111.177 174.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -66.28 -21.32 66.27 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 123.579 0.752 . . . . 73.33 112.621 172.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.6 p -124.86 4.49 8.08 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 112.599 0.592 . . . . 74.33 112.599 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.23 104.47 2.65 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.187 0.449 . . . . 71.02 111.347 -177.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -73.26 -44.75 58.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.744 0.783 . . . . 51.33 109.067 175.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 28.2 ttp -120.6 141.65 50.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.292 -1.322 . . . . 63.42 108.178 170.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.9 tp -125.19 138.82 54.13 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.789 -0.819 . . . . 65.01 108.789 176.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 10.2 tt0 -120.6 148.04 44.41 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.864 -0.791 . . . . 75.41 108.864 -176.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.487 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 17.5 tt -136.05 109.92 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-O 122.086 0.946 . . . . 74.02 111.264 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 60.69 40.28 16.54 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 125.018 1.327 . . . . 74.54 111.52 176.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.01 3.13 88.0 Favored Glycine 0 CA--C 1.526 0.781 0 CA-C-N 115.934 -0.575 . . . . 63.23 113.75 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 tt -121.82 115.21 22.22 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.798 -1.186 . . . . 74.52 107.798 -176.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -70.95 146.57 49.4 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 120.942 -0.303 . . . . 70.0 111.044 -176.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.77 155.06 29.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 72.32 109.857 174.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -97.32 -29.95 13.24 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.66 -0.867 . . . . 75.15 108.66 173.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -149.65 159.01 44.68 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.091 -0.707 . . . . 74.42 109.091 169.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -148.28 149.53 32.02 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.282 -0.636 . . . . 62.04 109.282 169.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -124.58 140.47 52.91 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.866 -0.606 . . . . 72.01 110.506 -175.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.44 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 88.4 mt -106.28 152.29 23.71 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.72 -0.474 . . . . 65.12 109.72 174.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.444 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.9 t-20 -77.89 94.33 4.54 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 106.981 -1.488 . . . . 73.22 106.981 170.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.96 -42.57 84.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.142 -1.39 . . . . 74.4 111.405 -169.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -61.66 -39.22 90.61 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 124.79 1.306 . . . . 62.03 112.229 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.1 tp -72.54 -25.27 61.31 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 122.493 0.317 . . . . 70.54 111.289 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 73.8 mt -84.02 -20.84 32.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.368 -0.378 . . . . 64.51 111.584 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -69.4 -36.72 77.01 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 109.785 -0.45 . . . . 23.41 109.785 167.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -77.72 -27.87 50.73 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.736 0.647 . . . . 73.34 111.738 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.1 -39.55 68.84 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 122.976 0.51 . . . . 60.4 111.295 177.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -74.22 -33.89 63.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.32 -0.854 . . . . 54.54 110.708 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.05 -43.27 96.03 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.005 0.922 . . . . 61.15 110.847 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.85 -39.88 87.74 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.502 -0.772 . . . . 72.41 110.971 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.38 -32.87 74.53 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 123.415 0.447 . . . . 65.05 112.011 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.35 -24.33 62.07 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.079 0.552 . . . . 74.25 111.967 173.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.41 9.99 36.16 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.111 0.411 . . . . 72.0 112.111 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 64.18 37.09 9.08 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 125.126 1.37 . . . . 72.13 111.066 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -117.06 135.28 23.03 Favored Pre-proline 0 C--N 1.312 -1.027 0 CA-C-N 114.956 -1.02 . . . . 73.35 109.233 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -75.13 124.22 8.38 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.4 1.4 . . . . 42.1 110.291 168.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -87.79 130.41 34.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 109.48 -0.563 . . . . 73.24 109.48 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.37 122.67 21.74 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.589 -0.732 . . . . 64.14 109.521 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -137.35 140.6 41.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.337 -0.392 . . . . 55.41 110.052 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -94.97 9.58 38.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.784 0.326 . . . . 71.3 110.913 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -78.18 162.4 26.63 Favored 'General case' 0 C--N 1.343 0.283 0 N-CA-C 108.778 -0.823 . . . . 74.34 108.778 174.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -65.38 151.66 45.75 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 123.599 0.562 . . . . 71.3 109.63 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 32' ' ' LEU . 8.2 p -135.28 -18.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 O-C-N 122.25 -0.281 . . . . 72.11 111.039 175.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.6 tp -150.85 113.86 4.78 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 121.568 0.699 . . . . 75.51 111.697 -172.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.4 106.03 16.37 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 114.596 -1.183 . . . . 70.31 108.742 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.1 t -99.09 109.4 24.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.383 -0.969 . . . . 74.24 108.383 -174.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -111.09 126.27 54.65 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.979 0.895 . . . . 63.32 110.985 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.9 m -130.94 159.27 37.94 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.698 -1.137 . . . . 75.45 109.141 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.5 mt -112.2 106.28 14.83 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.439 -0.578 . . . . 74.5 109.439 173.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -95.54 94.4 7.75 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 122.261 1.029 . . . . 75.41 110.23 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.75 -96.14 2.17 Favored Glycine 0 N--CA 1.434 -1.489 0 N-CA-C 108.687 -1.765 . . . . 72.31 108.687 -177.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 25.15 2.11 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 122.226 1.013 . . . . 73.04 108.366 166.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -95.85 127.59 42.0 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 114.025 -1.443 . . . . 71.53 109.31 176.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -91.19 108.5 19.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.313 -0.625 . . . . 71.55 109.313 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -117.71 120.53 38.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.965 -1.016 . . . . 71.15 110.258 -172.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -125.71 129.21 49.08 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 120.98 0.419 . . . . 72.3 110.172 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 17.9 m-90 -107.38 122.21 46.13 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.326 -0.852 . . . . 73.42 109.118 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -102.05 120.59 40.68 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.375 0.607 . . . . 72.41 110.018 175.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -108.41 142.91 38.06 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.624 -1.171 . . . . 74.52 109.38 178.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 98.4 p -85.29 166.73 16.24 Favored 'General case' 0 N--CA 1.443 -0.819 0 O-C-N 123.964 0.79 . . . . 71.43 109.714 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -64.1 -36.19 83.23 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.724 -0.671 . . . . 73.24 110.298 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.45 -35.92 81.48 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 112.042 0.386 . . . . 74.14 112.042 177.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.9 -35.78 74.9 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 123.577 0.548 . . . . 63.1 112.428 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.6 m -78.01 -18.7 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 112.174 0.435 . . . . 74.32 112.174 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.9 mmt -76.88 -37.0 56.33 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 122.527 0.331 . . . . 63.21 111.115 173.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -100.84 1.94 40.57 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.486 0.55 . . . . 63.33 112.486 -178.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.25 125.68 23.83 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 123.043 0.537 . . . . 74.42 110.883 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 90' ' ' ARG . 30.0 mt-10 -75.61 120.78 83.21 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.594 1.184 . . . . 73.04 111.352 -162.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -62.7 117.64 4.53 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.615 2.21 . . . . 72.25 111.41 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -89.0 162.56 15.98 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.787 -0.642 . . . . 73.44 109.323 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.89 -6.69 48.76 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.605 0.594 . . . . 72.34 112.605 -176.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.8 -24.2 61.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.482 0.713 . . . . 71.34 110.879 175.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.27 -14.97 31.12 Favored Glycine 0 C--N 1.346 1.095 0 N-CA-C 114.308 0.483 . . . . 63.22 114.308 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -120.68 -14.42 8.59 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.663 -0.495 . . . . 75.42 109.663 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 63.6 m -98.14 148.38 23.62 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.713 -0.676 . . . . 73.15 111.689 -177.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.52 ' CD1' HD13 ' A' ' 10' ' ' LEU . 54.0 m95 -135.34 146.71 48.68 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 114.718 -1.128 . . . . 73.1 108.279 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.402 ' HB3' ' HB2' ' A' ' 81' ' ' GLU . 45.5 ttp180 -109.76 113.03 25.44 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 120.065 -0.654 . . . . 52.21 110.44 179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.438 HD21 ' CD2' ' A' ' 10' ' ' LEU . 4.5 mm? -91.72 97.97 11.34 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 114.75 -1.114 . . . . 62.04 108.229 176.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.1 m -98.76 109.89 22.58 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.267 -1.012 . . . . 74.44 108.267 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.3 p -112.77 -171.63 1.9 Allowed 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 113.542 -1.663 . . . . 72.21 109.081 -173.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.45 -13.26 83.73 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.891 -0.671 . . . . 52.5 112.245 174.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -99.83 -2.1 35.84 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.571 0.349 . . . . 63.23 111.894 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.73 -131.56 4.52 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 120.773 -0.727 . . . . 45.53 113.196 173.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.69 114.67 4.7 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.587 0.755 . . . . 75.23 109.492 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -118.69 118.11 30.75 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.292 0.637 . . . . 63.54 110.075 -172.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.487 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 24.7 tt0 -86.54 105.34 16.76 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-O 121.022 0.439 . . . . 74.12 111.797 -175.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.405 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 24.9 mt -91.37 111.2 22.59 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.423 0.63 . . . . 64.44 110.644 178.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -112.38 121.98 46.41 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 114.941 -1.027 . . . . 60.3 110.003 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 9.4 p -82.56 131.94 35.2 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.557 -0.747 . . . . 63.44 109.763 177.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.8 mt -129.57 99.85 5.32 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.261 -0.881 . . . . 74.31 109.441 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.66 169.42 16.97 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.573 -0.822 . . . . 40.03 111.962 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.38 32.29 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.788 0.328 . . . . 75.12 111.108 -173.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.2 t -120.94 94.92 3.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 110.073 -0.343 . . . . 53.32 110.073 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.8 m -143.11 138.84 30.13 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 120.938 0.399 . . . . 74.14 110.457 169.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -125.68 23.73 7.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.819 -0.628 . . . . 73.34 110.656 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.5 p -79.28 173.33 12.69 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.999 -0.546 . . . . 62.51 111.15 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.77 57.57 4.09 Favored Glycine 0 C--N 1.332 0.337 0 N-CA-C 111.199 -0.76 . . . . 62.54 111.199 -172.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.417 ' HB2' ' H ' ' A' ' 112' ' ' ASP . 12.9 mt-10 -79.85 -79.57 0.14 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.979 -0.61 . . . . 61.23 109.856 -173.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.417 ' H ' ' HB2' ' A' ' 111' ' ' GLU . 26.7 t70 -160.65 -79.04 0.05 Allowed 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 107.853 -1.166 . . . . 21.32 107.853 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 . . . . . 0 C--O 1.244 0.784 0 CA-C-O 118.052 -0.975 . . . . 73.34 108.97 171.509 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 112.244 -0.343 . . . . 65.42 112.244 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 p -100.39 44.15 1.03 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.897 0.38 . . . . 51.12 112.022 -176.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -70.32 -41.71 72.9 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.765 -0.457 . . . . 72.35 109.765 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 67.1 mtt -70.72 121.82 18.67 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 108.299 -1.0 . . . . 75.21 108.299 167.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 p -70.14 -55.19 10.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 119.141 -0.457 . . . . 74.32 111.151 -177.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t 42.17 42.32 2.42 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.312 1.845 . . . . 71.12 112.442 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -86.16 -26.09 25.35 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.298 -1.319 . . . . 72.45 109.965 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.1 mtt85 68.76 98.35 0.06 Allowed 'General case' 0 C--N 1.351 0.661 0 O-C-N 124.991 1.432 . . . . 72.35 110.839 -177.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -98.1 169.06 9.87 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.167 -1.379 . . . . 73.13 108.038 173.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.527 HD13 ' CD1' ' A' ' 89' ' ' TRP . 51.1 tp -69.75 -29.08 66.35 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.529 -0.545 . . . . 65.43 109.529 169.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.1 tp -57.65 -44.5 85.69 Favored 'General case' 0 C--O 1.221 -0.423 0 O-C-N 123.894 0.746 . . . . 73.53 111.44 171.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -66.99 -36.32 81.9 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.038 -0.528 . . . . 62.14 111.255 177.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.08 -41.9 60.99 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 113.649 0.981 . . . . 73.12 113.649 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.428 HD13 HD22 ' A' ' 32' ' ' LEU . 2.9 pp -68.7 -21.52 64.41 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 112.705 0.632 . . . . 71.05 112.705 -175.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.59 -43.03 93.83 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.947 0.899 . . . . 71.11 112.439 177.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 105' ' ' ALA . 13.3 p -107.08 -19.96 13.45 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 112.769 0.655 . . . . 74.14 112.769 -175.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 104' ' ' GLY . . . -57.15 133.26 54.87 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.394 0.678 . . . . 74.23 112.454 -176.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -91.12 -54.35 3.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.725 0.774 . . . . 62.31 109.954 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.4 ttp -108.86 137.4 46.85 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.726 -1.124 . . . . 74.13 109.272 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mt -122.6 143.02 50.02 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.803 -0.443 . . . . 60.5 109.803 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 74.9 mt-10 -109.09 154.8 21.76 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.659 -0.867 . . . . 74.5 108.659 172.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 12.0 tt -144.85 95.15 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-O 122.103 0.954 . . . . 73.12 112.183 173.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.485 ' HB2' ' H ' ' A' ' 99' ' ' GLN . 38.9 t70 52.03 59.2 4.71 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 113.989 -1.46 . . . . 65.31 111.641 178.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.65 -24.74 11.2 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-N 114.866 -1.061 . . . . 72.22 114.126 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.73 155.97 26.48 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 117.366 0.583 . . . . 52.43 110.18 176.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -119.73 112.74 19.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.4 -0.364 . . . . 75.13 110.88 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.65 115.3 19.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.634 -0.506 . . . . 74.24 109.634 174.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -77.9 -25.14 48.3 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.308 -0.86 . . . . 75.0 109.341 -178.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -149.53 167.54 25.99 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.693 -1.14 . . . . 63.15 108.411 176.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -158.04 151.36 23.25 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 123.706 0.628 . . . . 64.02 109.989 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -111.57 134.46 53.13 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.185 -0.672 . . . . 70.12 109.185 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.428 HD22 HD13 ' A' ' 14' ' ' LEU . 96.5 mt -104.36 150.86 24.12 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.285 -0.87 . . . . 52.54 110.675 176.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.582 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 51.0 t-20 -84.33 81.92 8.61 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.568 -1.271 . . . . 62.24 107.568 169.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -77.8 -17.95 56.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.283 -0.871 . . . . 73.31 112.238 -169.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -65.34 -44.8 86.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.137 -0.938 . . . . 71.51 109.769 170.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.2 tp -76.87 -25.18 52.8 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.327 -0.851 . . . . 71.02 111.462 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 69.1 mt -78.83 -28.62 44.44 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.252 0.464 . . . . 54.44 112.252 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.74 -43.07 99.77 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.782 0.676 . . . . 74.23 110.153 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -72.51 -27.6 62.36 Favored 'General case' 0 C--O 1.225 -0.235 0 O-C-N 124.286 0.991 . . . . 73.44 111.522 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.22 -46.11 78.37 Favored 'General case' 0 CA--C 1.518 -0.28 0 O-C-N 123.732 0.645 . . . . 60.33 111.496 178.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.15 -26.59 39.31 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.366 -0.833 . . . . 61.22 110.664 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.0 -50.51 73.1 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.308 1.043 . . . . 74.01 110.247 173.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.28 -35.87 78.52 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.567 -0.742 . . . . 44.41 111.29 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.66 75.25 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.534 0.568 . . . . 51.21 112.534 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.39 -32.13 71.98 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.041 -0.527 . . . . 75.24 111.299 171.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.62 7.65 16.71 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.394 0.678 . . . . 72.53 112.791 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.2 t70 70.37 23.22 5.04 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.103 1.361 . . . . 75.41 111.606 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -113.79 129.53 24.64 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.789 -0.641 . . . . 73.32 109.599 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -64.7 125.62 15.21 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.303 2.002 . . . . 73.44 111.613 173.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -93.93 125.97 38.87 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.884 -0.784 . . . . 74.24 108.884 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.404 ' HB1' HD21 ' A' ' 75' ' ' ASN . . . -140.24 119.19 12.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.692 -0.686 . . . . 75.51 109.814 176.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 74' ' ' TYR . 42.2 t -128.32 147.86 50.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.466 -0.788 . . . . 71.1 109.69 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -95.35 -4.0 46.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.234 -0.439 . . . . 63.43 111.089 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -74.28 164.49 26.54 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.55 -0.537 . . . . 73.03 109.55 176.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -67.29 159.95 28.16 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 123.231 0.332 . . . . 72.03 110.686 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.7 p -137.86 -31.01 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.854 0.359 . . . . 61.02 111.899 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.4 tp -140.67 124.21 16.93 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.11 0.481 . . . . 75.02 111.029 -172.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.1 107.41 13.01 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.187 -0.915 . . . . 65.43 108.871 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -100.1 126.57 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 120.923 0.392 . . . . 73.11 110.365 -176.546 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -110.41 115.77 30.25 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.601 0.715 . . . . 62.2 110.814 -177.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.7 m -122.62 134.02 54.52 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.651 -1.159 . . . . 54.51 108.671 173.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.5 mt -75.72 107.07 7.63 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.895 -0.779 . . . . 64.43 108.895 173.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -108.96 104.75 14.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.342 -0.844 . . . . 71.25 108.865 -179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.59 -115.13 3.96 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.276 -1.129 . . . . 75.41 110.276 -169.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -118.53 5.29 11.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.663 0.744 . . . . 73.3 109.313 170.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -92.63 141.79 28.09 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.556 -1.202 . . . . 41.4 110.523 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.546 ' HD2' ' H ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -91.39 98.95 12.01 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 122.3 1.047 . . . . 74.45 108.532 170.365 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -96.03 121.95 38.34 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.691 -1.141 . . . . 75.11 109.557 -171.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 30.1 tt0 -115.24 133.14 56.31 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.245 -0.889 . . . . 73.12 110.263 -176.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 19.8 m-90 -110.45 125.27 53.1 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.163 -0.68 . . . . 71.22 109.163 174.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -104.3 124.3 48.93 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.017 -0.992 . . . . 73.33 109.511 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -111.27 137.66 48.72 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.119 -0.946 . . . . 63.11 110.206 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.2 m -74.92 159.12 32.24 Favored 'General case' 0 N--CA 1.444 -0.743 0 O-C-N 124.199 0.937 . . . . 71.24 109.411 173.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.448 ' HB3' ' O ' ' A' ' 52' ' ' SER . 51.1 t80 -65.47 -37.67 87.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.231 -0.44 . . . . 72.3 111.192 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.404 HD21 ' HB1' ' A' ' 51' ' ' ALA . 1.9 m-80 -74.01 -20.55 60.29 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.482 0.549 . . . . 62.12 112.482 176.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.96 -35.51 62.11 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.277 0.56 . . . . 73.11 110.784 173.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.8 t -74.7 -24.24 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 CA-C-N 115.926 -0.579 . . . . 72.14 111.195 175.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.8 mmt -71.11 -37.43 72.35 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.489 0.551 . . . . 54.14 112.489 173.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -88.81 6.49 38.72 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.181 0.437 . . . . 51.01 112.181 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.429 ' HB2' HD22 ' A' ' 91' ' ' LEU . . . -61.65 116.81 5.07 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.726 0.298 . . . . 74.43 111.61 176.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -80.21 125.05 82.26 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.303 -0.862 . . . . 60.34 111.512 -175.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -67.14 125.48 13.63 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 121.715 1.61 . . . . 73.14 110.61 171.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -82.24 176.47 9.44 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.661 -0.496 . . . . 62.34 109.661 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.25 -22.32 61.99 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.526 0.565 . . . . 62.44 112.526 -175.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -80.61 -21.05 41.91 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.662 -0.244 . . . . 50.13 111.515 174.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.84 -13.67 55.52 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 115.144 0.818 . . . . 73.42 115.144 173.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -99.03 -30.71 12.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.373 0.587 . . . . 73.4 110.112 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.0 m -88.55 143.35 27.02 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.652 -0.704 . . . . 53.13 110.529 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.527 ' CD1' HD13 ' A' ' 10' ' ' LEU . 60.4 m95 -125.78 129.79 50.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.447 -0.797 . . . . 74.13 109.048 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -88.12 103.69 15.98 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.398 -0.593 . . . . 74.32 109.398 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.429 HD22 ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -90.71 100.3 13.17 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 114.932 -1.031 . . . . 72.22 108.339 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.8 p -91.12 128.0 36.77 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.068 -0.969 . . . . 74.43 108.978 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 37.8 p -128.34 -173.82 3.05 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.379 -0.828 . . . . 63.32 110.79 -171.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.5 -19.17 76.71 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.592 -0.603 . . . . 43.0 111.592 169.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -77.81 -41.3 37.64 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.073 0.549 . . . . 70.11 111.621 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.32 -117.08 0.75 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.204 -0.522 . . . . 35.5 112.182 -176.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -143.92 133.79 23.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.343 0.592 . . . . 72.41 110.64 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.435 ' HB3' ' CG1' ' A' ' 22' ' ' ILE . 86.6 m-85 -131.42 128.97 40.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.053 -0.976 . . . . 62.22 108.939 -177.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.485 ' H ' ' HB2' ' A' ' 23' ' ' ASP . 22.5 tt0 -95.91 101.79 13.51 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.321 -0.552 . . . . 74.25 110.189 -176.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.539 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 41.6 mt -92.49 109.84 21.24 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.058 -0.519 . . . . 75.42 109.809 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -112.75 118.08 34.0 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.475 0.655 . . . . 74.21 110.147 177.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.6 p -83.13 124.45 30.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.391 -1.277 . . . . 64.04 111.243 -177.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 75.0 mt -128.1 130.42 48.14 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.12 -0.945 . . . . 64.31 109.577 -176.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 17' ' ' ALA . . . 81.91 164.17 33.31 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.309 -0.948 . . . . 71.43 113.16 177.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' A' ' 16' ' ' THR . . . -144.64 81.43 1.66 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.197 0.522 . . . . 71.41 110.517 -177.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 69.8 t -130.53 98.04 3.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-N 115.602 -0.727 . . . . 71.3 109.452 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 t 58.73 -157.41 0.32 Allowed 'General case' 0 N--CA 1.48 1.036 0 O-C-N 124.816 1.322 . . . . 74.14 112.075 168.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -132.46 -163.38 1.33 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.515 -0.55 . . . . 63.22 109.515 172.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.7 m -68.84 -56.55 7.59 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.612 0.365 . . . . 64.45 111.738 -176.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.47 29.6 57.81 Favored Glycine 0 C--N 1.335 0.513 0 CA-C-N 116.207 -0.451 . . . . 54.41 112.156 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -99.0 2.32 46.21 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 122.87 0.468 . . . . 61.2 111.468 -174.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -84.23 -34.97 23.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.093 -0.503 . . . . 75.15 110.713 177.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 . . . . . 0 C--O 1.24 0.603 0 O-C-N 123.463 0.477 . . . . 73.01 110.893 -177.494 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.514 0 CA-C-O 119.721 -0.488 . . . . 63.33 112.262 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m 56.64 70.64 0.63 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.433 1.093 . . . . 73.43 111.117 -173.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.15 68.72 9.14 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.852 0.834 . . . . 70.01 110.878 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 92.4 mtp -131.11 109.12 10.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.551 -1.204 . . . . 72.22 108.116 178.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 p -78.57 -60.52 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 119.269 -0.396 . . . . 65.22 111.715 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 57.01 45.89 20.33 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 124.195 0.998 . . . . 71.42 109.148 -172.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 60.78 -104.28 0.17 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-O 116.965 -1.493 . . . . 71.55 107.406 -158.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? 31.27 61.06 0.26 Allowed 'General case' 0 C--N 1.368 1.374 0 C-N-CA 126.624 1.969 . . . . 72.22 114.473 167.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -86.09 171.93 10.98 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.006 -1.452 . . . . 74.3 107.412 174.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.44 HD13 ' CD1' ' A' ' 89' ' ' TRP . 62.9 tp -68.97 -28.37 66.56 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.337 0.971 . . . . 55.14 110.002 170.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.1 tp -63.59 -41.86 98.32 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.232 -0.895 . . . . 72.43 111.348 172.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.18 -29.46 60.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.67 -0.696 . . . . 71.32 110.992 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.476 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 3.0 mm-40 -68.86 -41.73 78.03 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 115.559 -0.746 . . . . 74.34 112.695 178.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.471 HD13 HD22 ' A' ' 32' ' ' LEU . 3.5 pp -72.66 -23.93 60.97 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.059 0.391 . . . . 61.43 111.683 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -66.98 -27.87 67.8 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.992 0.807 . . . . 72.03 111.955 172.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.707 ' O ' ' HA ' ' A' ' 105' ' ' ALA . 36.6 p -122.67 28.7 7.19 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 116.441 -0.345 . . . . 71.11 110.988 -178.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -104.43 148.14 26.76 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.751 -0.593 . . . . 74.41 110.988 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -110.47 -42.64 4.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.283 0.563 . . . . 61.12 110.366 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.9 ttp -124.77 129.34 50.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.102 -0.703 . . . . 63.11 109.102 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -115.11 128.38 56.18 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.313 -0.255 . . . . 75.14 110.313 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -104.64 148.52 26.45 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.929 -0.578 . . . . 71.13 109.726 172.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 15.5 tt -135.11 105.5 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 CA-C-O 122.328 1.061 . . . . 54.53 109.212 177.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 62.98 26.44 15.51 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 113.838 -1.528 . . . . 73.2 111.264 -173.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.23 -20.08 51.91 Favored Glycine 0 C--N 1.341 0.851 0 CA-C-N 116.147 -0.478 . . . . 75.11 112.746 -177.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.03 107.5 10.64 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.354 -0.61 . . . . 62.2 109.354 178.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -80.91 125.21 29.83 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.376 -0.53 . . . . 71.4 110.51 -176.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.41 135.14 44.18 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.373 -0.83 . . . . 74.12 109.712 174.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 29.1 p-90 -73.94 -28.94 61.75 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 109.166 -0.679 . . . . 75.31 109.166 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -159.03 139.66 12.52 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.222 -0.899 . . . . 71.14 109.217 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -119.47 163.03 17.87 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.452 -0.794 . . . . 63.1 109.216 171.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -132.76 136.25 46.22 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.013 -0.736 . . . . 73.23 109.013 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.471 HD22 HD13 ' A' ' 14' ' ' LEU . 63.1 mt -108.77 152.19 25.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.127 -0.488 . . . . 71.25 110.381 -176.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.421 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 46.5 t-20 -86.88 85.18 7.25 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 107.824 -1.176 . . . . 73.25 107.824 171.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.22 -24.6 64.04 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 124.149 0.98 . . . . 75.0 112.681 -173.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -71.82 -39.44 69.82 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.993 0.808 . . . . 71.53 111.347 176.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 tp -79.39 -24.26 42.71 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.248 -0.433 . . . . 71.0 110.884 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 95.9 mt -82.34 -27.2 32.36 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.047 0.539 . . . . 74.21 111.432 176.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.18 -40.67 94.58 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.415 -0.811 . . . . 61.13 109.387 171.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -80.64 -19.52 45.14 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 115.018 -0.992 . . . . 71.04 112.009 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.76 -38.37 64.73 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 123.1 0.25 . . . . 60.44 110.785 175.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.29 -36.7 61.12 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.773 -0.648 . . . . 65.23 110.685 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.2 tt -56.29 -45.48 80.15 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.762 1.225 . . . . 64.12 110.725 172.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.95 73.05 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.394 -0.821 . . . . 63.13 111.792 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.96 74.59 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.208 0.447 . . . . 72.53 112.208 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -77.07 -22.15 53.31 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.665 -0.698 . . . . 72.34 111.625 174.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.64 9.67 33.81 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.888 -0.596 . . . . 64.53 111.945 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 66.86 25.97 9.41 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.795 1.238 . . . . 63.12 111.401 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -109.46 122.55 39.14 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.863 -0.608 . . . . 73.52 109.93 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -66.12 124.38 12.52 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.16 1.907 . . . . 72.24 110.673 168.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -100.72 124.23 46.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.038 -0.528 . . . . 75.13 109.916 -173.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -137.02 120.82 17.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.0 0.429 . . . . 71.21 110.163 175.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.5 t -127.88 147.85 50.46 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.832 -0.622 . . . . 73.14 110.051 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -99.23 2.38 45.6 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.424 -0.353 . . . . 73.51 110.881 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -74.36 165.97 24.28 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.802 -0.814 . . . . 74.31 108.802 174.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.454 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 12.3 p-90 -70.5 155.67 40.4 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 109.889 -0.411 . . . . 71.31 109.889 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.4 p -133.83 -24.15 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 121.077 0.465 . . . . 74.35 111.205 174.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.1 tp -145.37 117.8 8.51 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-O 121.409 0.623 . . . . 72.41 111.308 -171.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.05 108.92 20.23 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.846 -1.07 . . . . 71.41 108.837 172.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.9 t -100.86 116.68 44.85 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 N-CA-C 106.863 -1.532 . . . . 61.55 106.863 -176.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -123.2 130.95 53.45 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.591 -0.843 . . . . 72.04 111.897 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.6 t -137.95 158.72 43.77 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.717 -1.128 . . . . 73.22 109.711 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.4 mt -111.74 123.54 50.46 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.03 -0.359 . . . . 62.24 110.03 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -104.67 95.37 5.85 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.39 -0.368 . . . . 75.13 110.392 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.05 -89.75 0.89 Allowed Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 110.792 -0.923 . . . . 52.25 110.792 -175.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -129.48 -4.36 4.8 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.038 0.535 . . . . 74.24 111.154 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 t -95.69 170.62 9.2 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 122.019 -0.426 . . . . 75.05 110.036 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.03 128.96 49.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.94 -0.393 . . . . 70.43 109.94 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 -122.56 119.92 32.27 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.27 -0.423 . . . . 74.24 110.228 174.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.48 132.4 54.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.868 0.842 . . . . 64.11 109.531 171.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 14.7 m-90 -109.83 121.71 45.86 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 107.321 -1.363 . . . . 65.34 107.321 175.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -112.45 113.99 26.45 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.399 0.619 . . . . 73.35 109.906 -176.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -104.97 134.71 47.63 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.872 -1.058 . . . . 73.54 110.349 -176.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' 55' ' ' TRP . 81.9 p -74.48 160.81 30.45 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.071 -0.968 . . . . 74.52 110.133 175.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -60.66 -34.34 74.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.01 -0.995 . . . . 73.51 110.532 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.4 -37.02 74.4 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 123.878 0.736 . . . . 72.01 111.907 -178.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.412 ' HB1' HD11 ' A' ' 91' ' ' LEU . . . -72.15 -32.44 66.88 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.168 0.508 . . . . 53.31 111.994 178.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.7 t -76.41 -24.73 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 CA-C-N 115.592 -0.731 . . . . 74.33 111.181 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.87 -43.61 83.08 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 122.899 0.479 . . . . 65.43 111.839 174.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -92.13 9.58 32.94 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.639 0.607 . . . . 54.42 112.639 -175.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.87 133.1 54.18 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.669 0.747 . . . . 71.33 112.058 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.492 ' HB3' ' HB3' ' A' ' 90' ' ' ARG . 28.2 tt0 -93.54 123.94 58.67 Favored Pre-proline 0 C--N 1.316 -0.879 0 CA-C-N 114.092 -1.413 . . . . 72.12 111.146 -168.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -70.07 117.36 5.06 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.839 1.693 . . . . 74.23 111.418 175.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -82.58 173.24 12.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.742 -0.663 . . . . 73.53 111.174 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.52 -8.58 56.5 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.616 -0.72 . . . . 54.22 111.833 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -76.44 -24.07 53.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.076 0.551 . . . . 61.11 111.075 175.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.64 -15.14 26.7 Favored Glycine 0 C--N 1.339 0.724 0 N-CA-C 114.874 0.709 . . . . 71.05 114.874 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -123.44 -19.93 5.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.699 0.749 . . . . 60.4 110.428 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.6 m -93.42 145.25 24.63 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.756 -0.656 . . . . 74.42 111.133 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.44 ' CD1' HD13 ' A' ' 10' ' ' LEU . 75.8 m95 -125.76 140.44 52.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.778 -1.101 . . . . 75.23 109.555 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.492 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 63.9 ttt180 -92.63 108.05 19.68 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 109.243 -0.651 . . . . 62.04 109.243 175.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.412 HD11 ' HB1' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -91.06 100.12 13.03 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 107.924 -1.139 . . . . 75.54 107.924 175.078 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.8 t -92.04 123.18 35.21 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.005 -0.998 . . . . 54.12 109.059 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 76.5 p -122.79 -171.42 2.28 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.312 -0.858 . . . . 75.52 109.938 -176.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.56 -1.79 89.17 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 121.223 -0.513 . . . . 74.51 112.222 171.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -98.24 -48.86 4.92 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.311 -0.626 . . . . 71.23 109.311 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.79 -115.69 0.55 Allowed Glycine 0 C--N 1.34 0.76 0 C-N-CA 120.857 -0.687 . . . . 70.2 113.194 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -146.62 133.29 19.92 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.159 0.584 . . . . 64.12 110.546 -174.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.441 ' HB3' HD11 ' A' ' 22' ' ' ILE . 84.0 m-85 -130.35 117.23 19.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.374 -0.83 . . . . 75.43 108.86 -177.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.51 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 11.9 tt0 -84.19 100.42 11.16 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.935 0.398 . . . . 65.41 110.735 -175.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.2 mt -93.35 109.06 20.62 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.153 0.501 . . . . 54.21 110.395 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -109.39 119.52 39.71 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.809 -0.632 . . . . 74.2 109.489 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 36.4 m -92.07 121.64 33.82 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 114.43 -1.259 . . . . 72.31 111.157 -174.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.3 mt -122.34 144.21 49.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.98 -1.009 . . . . 75.3 109.649 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 83.4 -172.29 50.65 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.101 -0.571 . . . . 64.45 113.03 175.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.707 ' HA ' ' O ' ' A' ' 16' ' ' THR . . . -156.11 58.9 0.58 Allowed 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.328 0.492 . . . . 75.41 112.328 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.54 93.33 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 O-C-N 122.169 -0.332 . . . . 75.11 110.579 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.56 108.87 2.99 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 122.92 0.488 . . . . 62.34 110.531 173.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -89.77 123.16 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.992 -0.744 . . . . 65.23 108.992 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.9 t -132.42 158.11 42.83 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.548 0.213 . . . . 71.1 111.234 -172.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 118.62 148.7 8.5 Favored Glycine 0 C--N 1.334 0.421 0 N-CA-C 111.52 -0.632 . . . . 55.31 111.52 -177.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -138.18 -58.5 0.65 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.584 0.957 . . . . 63.13 113.584 -175.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.5 t70 55.81 70.79 0.6 Allowed 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.394 1.059 . . . . 72.23 109.796 -164.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.778 -0.646 . . . . 75.21 110.194 -178.681 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 112.042 -0.423 . . . . 62.34 112.042 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 t -149.16 107.04 3.68 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.154 -0.684 . . . . 54.01 109.154 174.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -77.68 -17.46 57.64 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.268 -0.424 . . . . 75.51 110.519 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 94.0 mtp -66.68 107.23 2.06 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.838 -0.801 . . . . 64.2 108.838 172.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.5 p -94.78 -52.45 4.26 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 114.92 -1.037 . . . . 53.33 109.722 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.3 m -79.78 104.98 10.73 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 106.122 -1.807 . . . . 74.2 106.122 163.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -54.81 -59.47 4.68 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 124.948 1.405 . . . . 71.23 112.691 -173.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 59.75 78.0 0.29 Allowed 'General case' 0 C--N 1.343 0.292 0 O-C-N 125.112 1.507 . . . . 71.23 110.482 -174.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 78.1 m-85 -86.88 -172.81 4.17 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 107.799 -1.186 . . . . 70.13 107.799 168.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 89' ' ' TRP . 56.8 tp -63.14 -27.47 69.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.588 -0.278 . . . . 73.12 110.593 172.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.5 tp -54.61 -49.91 69.34 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.414 1.086 . . . . 61.41 112.514 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.18 -28.34 61.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.296 -0.411 . . . . 64.32 110.891 -178.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 9' ' ' TYR . 31.2 mm-40 -74.66 -37.72 62.65 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 115.63 -0.714 . . . . 72.42 112.662 -177.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.441 HD13 HD22 ' A' ' 32' ' ' LEU . 3.5 pp -69.51 -26.69 64.66 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.616 0.599 . . . . 74.23 112.616 -176.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -75.38 -20.82 58.75 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.608 -0.724 . . . . 72.22 111.85 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 p -119.72 11.52 11.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.537 0.569 . . . . 73.23 112.537 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.99 141.21 47.7 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 122.208 -0.308 . . . . 72.21 111.45 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.37 -22.22 15.14 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.653 -0.703 . . . . 73.44 109.989 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.482 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 42.5 mmm -118.35 132.02 56.29 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 114.748 -1.114 . . . . 64.42 108.805 -176.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.6 mt -121.71 118.81 30.02 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.169 -0.678 . . . . 74.45 109.169 168.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 36.0 tt0 -98.76 140.03 33.57 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.009 -0.996 . . . . 74.54 108.678 179.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 22.6 mt -126.6 102.61 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 123.827 0.705 . . . . 73.13 109.696 173.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 63.01 28.38 16.21 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 114.306 -1.315 . . . . 74.04 113.043 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.11 -21.36 46.16 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 120.954 -0.641 . . . . 75.42 112.847 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 tt -87.81 118.93 27.66 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.78 -0.822 . . . . 63.04 108.78 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -77.5 123.26 26.35 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.539 -0.755 . . . . 65.31 111.729 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.72 118.0 21.89 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 108.934 -0.765 . . . . 73.1 108.934 171.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.7 p-90 -78.15 -17.87 56.31 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.038 -0.528 . . . . 71.11 111.671 -174.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -148.05 136.22 21.26 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.801 -0.636 . . . . 71.12 109.353 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -139.76 161.95 36.32 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.129 -0.941 . . . . 74.33 109.816 172.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -134.47 137.2 43.74 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.271 -0.64 . . . . 71.24 109.271 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.441 HD22 HD13 ' A' ' 14' ' ' LEU . 13.4 mt -105.46 139.09 40.61 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 108.106 -1.072 . . . . 75.35 108.106 178.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.566 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 51.1 t-20 -76.78 98.64 4.87 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.834 -0.802 . . . . 74.33 108.834 176.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -73.94 -37.57 64.53 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.16 0.913 . . . . 71.25 112.071 -168.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -62.55 -39.49 93.8 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.891 0.744 . . . . 74.44 111.267 177.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.0 tp -76.14 -29.4 57.78 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.949 -0.569 . . . . 61.14 111.634 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 61.0 mt -78.39 -21.27 49.58 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.047 0.388 . . . . 75.23 112.047 178.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.29 -38.78 78.48 Favored 'General case' 0 C--O 1.225 -0.193 0 O-C-N 123.651 0.594 . . . . 71.2 109.83 172.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -77.36 -27.49 52.63 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.947 0.779 . . . . 72.33 111.027 178.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.33 -39.55 85.83 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.54 0.525 . . . . 72.52 111.345 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.39 -29.41 47.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.343 -0.844 . . . . 64.13 110.756 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.18 -46.04 82.42 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.7 0.8 . . . . 64.32 110.001 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.73 -31.86 61.96 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 115.832 -0.622 . . . . 72.23 111.422 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.35 87.4 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.535 0.198 . . . . 53.11 111.535 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -71.38 -19.54 62.26 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.467 0.543 . . . . 73.42 112.467 174.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.32 -3.12 58.61 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 119.249 -0.405 . . . . 74.31 111.909 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.7 t70 68.17 23.47 7.91 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 125.405 1.482 . . . . 72.31 111.47 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -108.51 135.62 20.0 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.56 -0.745 . . . . 73.22 109.067 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -67.06 125.8 14.17 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.466 2.111 . . . . 63.41 112.32 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -92.05 120.63 32.86 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.696 0.76 . . . . 72.41 110.839 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.34 131.98 54.51 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.45 -1.25 . . . . 75.54 109.379 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.8 t -151.68 139.48 19.87 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.349 -0.982 . . . . 73.51 108.349 175.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -113.11 14.62 19.55 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.15 0.5 . . . . 64.13 110.233 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.4 177.64 8.65 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.592 -0.731 . . . . 65.33 109.37 173.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.4 p-90 -73.44 149.24 42.53 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 109.915 -0.402 . . . . 72.22 109.915 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.36 -20.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.023 0.439 . . . . 64.32 110.707 172.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -133.02 132.13 41.5 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.562 -0.29 . . . . 73.03 110.659 -176.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.81 99.62 5.61 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.798 -0.816 . . . . 24.13 108.798 170.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.451 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -103.24 108.62 24.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.497 -0.774 . . . . 62.21 109.999 -177.593 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -100.2 132.51 45.52 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 122.342 1.067 . . . . 65.13 109.77 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.2 m -131.78 122.03 25.14 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 114.235 -1.348 . . . . 75.13 109.852 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' A' ' 66' ' ' THR . 7.8 mp -108.35 103.52 12.69 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.211 -1.033 . . . . 75.22 108.211 173.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -102.85 98.31 8.32 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.998 -1.112 . . . . 74.43 107.998 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.23 -102.18 2.39 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.383 -1.087 . . . . 71.32 110.383 -168.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -139.54 45.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 72.31 110.686 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 10.7 t -107.19 126.47 52.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.429 0.633 . . . . 71.51 110.035 172.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -91.96 98.32 11.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.65 -0.705 . . . . 72.33 109.667 174.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -130.82 119.52 22.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.978 -0.555 . . . . 71.34 110.395 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -122.72 125.66 45.97 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.75 -0.659 . . . . 71.34 109.739 175.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.451 ' HB2' HG23 ' A' ' 59' ' ' VAL . 13.1 m-90 -95.62 125.06 39.95 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.48 -0.933 . . . . 73.45 108.48 174.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 73.1 mtp85 -110.15 112.0 23.71 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 109.039 -0.726 . . . . 74.03 109.039 176.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -101.5 140.64 35.51 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.489 -0.778 . . . . 75.25 109.052 -173.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.8 p -81.82 163.01 22.63 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.002 0.814 . . . . 73.12 110.917 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.409 ' O ' ' HG2' ' A' ' 78' ' ' MET . 72.0 t80 -63.93 -40.68 97.02 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.095 -0.957 . . . . 73.22 111.362 -178.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.72 -27.49 63.04 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.492 0.553 . . . . 72.43 112.492 -178.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.97 -27.81 63.02 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 123.724 0.64 . . . . 64.04 111.438 174.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 24.7 t -79.94 -27.51 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 123.918 0.887 . . . . 65.53 111.324 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 74' ' ' TYR . 95.2 mmm -79.1 -30.5 43.84 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 122.372 -0.205 . . . . 65.45 111.484 177.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -90.85 3.78 53.57 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 119.425 -0.321 . . . . 70.11 111.827 175.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.71 117.96 6.5 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 123.585 0.553 . . . . 74.34 110.758 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -85.68 129.09 56.15 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 114.524 -1.216 . . . . 63.21 110.697 -169.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -67.81 117.95 5.26 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 121.386 1.391 . . . . 75.04 111.969 176.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -85.88 179.19 7.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.446 -0.797 . . . . 72.2 109.597 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.94 -7.25 51.63 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.233 1.197 . . . . 64.1 114.233 -168.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -83.35 -22.01 32.97 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.484 0.183 . . . . 63.31 110.846 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.04 -15.52 21.24 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 116.213 -0.449 . . . . 74.24 113.578 -175.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -108.62 -26.74 10.22 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 109.408 -0.59 . . . . 64.31 109.408 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.1 m -84.4 140.73 31.34 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 114.704 -1.135 . . . . 63.33 110.968 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.461 ' CD1' HD13 ' A' ' 10' ' ' LEU . 66.0 m95 -126.39 142.3 51.58 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.014 -0.994 . . . . 71.34 108.766 177.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -88.76 111.45 22.02 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.742 -0.836 . . . . 74.53 108.742 174.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.26 101.29 12.91 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.332 -0.849 . . . . 74.45 108.754 176.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 p -83.57 125.72 32.08 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.196 -0.911 . . . . 62.13 110.321 178.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.8 p -130.55 -178.22 4.68 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.371 -0.832 . . . . 72.01 110.142 -176.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.39 -15.19 81.72 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.754 -0.538 . . . . 72.3 111.754 170.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -79.44 -32.64 42.8 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.324 0.65 . . . . 72.2 110.467 172.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 153.93 -110.7 0.46 Allowed Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.261 -0.495 . . . . 15.12 112.823 177.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -149.26 134.21 18.01 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.677 -0.861 . . . . 72.52 108.677 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -127.7 137.04 52.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.797 -0.446 . . . . 71.34 109.797 -176.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.491 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 18.8 tt0 -87.83 100.54 12.94 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.487 -0.56 . . . . 73.31 109.487 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 2.5 mt -95.05 108.99 21.09 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.809 -0.441 . . . . 64.13 109.809 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 101' ' ' ARG . 12.8 ttp180 -115.92 125.95 53.26 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-O 121.492 0.663 . . . . 72.21 110.466 -177.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 59.7 m -92.69 120.95 33.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.868 -1.06 . . . . 62.02 111.138 -175.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 19' ' ' MET . 3.3 mt -126.13 171.58 10.74 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.724 -0.671 . . . . 74.45 109.514 -179.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -143.84 73.99 0.33 Allowed Glycine 0 N--CA 1.44 -1.043 0 C-N-CA 120.738 -0.744 . . . . 64.31 111.701 -176.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.99 8.27 26.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.208 0.528 . . . . 52.42 111.571 -174.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.6 t -115.62 -44.35 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.433 -0.803 . . . . 63.44 110.441 -176.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.4 m 59.15 94.63 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 O-C-N 125.556 1.785 . . . . 70.23 110.924 -170.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.56 80.38 7.93 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.549 -0.75 . . . . 73.52 111.773 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.6 p -144.68 78.54 1.57 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-N 114.675 -1.148 . . . . 55.24 108.681 172.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -98.46 -138.15 10.11 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.558 -0.746 . . . . 43.03 114.181 -170.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -115.03 14.58 17.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.327 -0.437 . . . . 54.32 111.277 -174.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -75.45 133.25 41.14 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.032 -0.531 . . . . 63.21 110.371 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 N--CA 1.48 1.036 0 C-N-CA 126.222 1.809 . . . . 72.31 112.111 -174.015 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 111.839 -0.504 . . . . 45.4 111.839 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m -83.37 93.33 7.73 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.442 0.639 . . . . 74.03 111.367 -177.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.68 -9.9 30.72 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.233 -0.894 . . . . 75.42 109.958 169.583 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -70.67 128.67 36.89 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 114.596 -1.184 . . . . 70.11 108.885 172.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 p -64.67 -34.63 78.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.903 0.752 . . . . 70.31 111.624 176.498 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.4 m 60.93 57.91 2.46 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.069 1.481 . . . . 72.2 110.339 175.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -78.47 78.49 4.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.717 -1.129 . . . . 74.23 109.504 166.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.431 ' O ' ' HH2' ' A' ' 89' ' ' TRP . 0.3 OUTLIER -119.72 62.56 0.82 Allowed 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 106.447 -1.686 . . . . 62.13 106.447 172.37 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -99.93 167.79 10.28 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 114.967 -1.015 . . . . 73.32 108.55 177.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.543 HD13 ' CD1' ' A' ' 89' ' ' TRP . 47.6 tp -65.97 -30.5 71.08 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 117.825 0.284 . . . . 73.13 110.305 174.205 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.5 tp -65.7 -31.76 72.94 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.663 -0.699 . . . . 73.02 111.5 175.573 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -82.31 -30.4 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.925 0.393 . . . . 61.25 110.205 177.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -71.47 -37.25 71.36 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.48 -0.782 . . . . 33.14 113.02 -178.345 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -70.98 -21.11 62.35 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 120.941 0.4 . . . . 61.3 111.945 -178.444 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -67.48 -21.82 65.5 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.546 -0.752 . . . . 75.31 112.526 173.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -127.34 20.85 6.73 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.85 0.46 . . . . 71.03 111.478 178.177 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.31 140.94 38.46 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 120.639 -0.424 . . . . 72.21 110.635 179.211 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -106.48 -45.23 4.3 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.461 -0.791 . . . . 73.41 109.549 177.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 28.2 ttp -111.79 130.08 55.92 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.404 -0.816 . . . . 71.44 109.526 175.796 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.1 tp -121.53 126.4 49.1 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.721 -0.844 . . . . 73.22 108.721 176.576 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.653 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 30.1 tt0 -98.29 152.45 19.41 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.427 -0.806 . . . . 62.42 109.797 -177.431 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.507 ' CG1' ' HB3' ' A' ' 98' ' ' TYR . 15.5 tt -134.35 107.64 9.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 CA-C-O 121.699 0.762 . . . . 54.42 110.969 175.252 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 54.96 42.9 30.68 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.537 1.535 . . . . 73.43 111.984 175.836 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.0 -17.98 58.29 Favored Glycine 0 C--N 1.343 0.945 0 O-C-N 121.816 -0.553 . . . . 62.53 113.771 178.604 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tt -102.34 115.15 29.97 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.684 -0.858 . . . . 72.32 108.684 -177.584 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 42.8 p-80 -75.38 131.18 40.04 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.444 -0.502 . . . . 70.52 110.205 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.02 146.01 35.6 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.295 -0.632 . . . . 75.35 109.295 173.116 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 -79.88 -22.77 42.44 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 109.533 -0.543 . . . . 75.34 109.533 179.365 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -156.37 144.78 19.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.839 -0.618 . . . . 73.13 110.165 -176.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -129.7 151.04 50.73 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.72 -0.474 . . . . 72.43 109.72 165.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -122.33 144.49 48.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.943 -0.571 . . . . 73.13 110.128 -176.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.7 mt -113.69 140.16 48.46 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.464 -0.789 . . . . 64.52 110.609 -177.784 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.439 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 49.1 t-20 -82.29 91.4 6.77 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 108.546 -0.909 . . . . 61.3 108.546 171.586 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.42 -23.11 56.95 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.799 -0.637 . . . . 74.43 112.446 -172.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -68.39 -39.97 81.5 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 122.979 0.512 . . . . 71.12 110.9 172.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.3 tp -79.15 -25.39 42.87 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.036 -0.529 . . . . 74.24 111.009 178.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 33' ' ' ASN . 79.2 mt -81.28 -18.66 45.1 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.518 -0.31 . . . . 70.25 111.575 177.038 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.05 -42.0 76.87 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.625 -0.88 . . . . 75.55 108.625 170.404 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -75.89 -22.28 56.29 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.282 -0.872 . . . . 72.5 111.711 178.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.6 -40.98 76.32 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.37 -0.377 . . . . 61.43 111.06 174.108 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -74.2 -31.9 62.84 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.882 -0.599 . . . . 64.41 110.076 177.148 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.71 -48.18 81.93 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.393 1.077 . . . . 71.44 110.973 178.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.58 79.81 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 123.479 0.487 . . . . 75.53 111.011 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.92 -25.62 63.75 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 120.922 0.391 . . . . 54.22 111.857 178.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -77.57 -18.49 56.86 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.028 0.531 . . . . 71.1 111.44 171.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.85 14.11 31.48 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 122.472 0.309 . . . . 74.42 111.586 176.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.7 t70 76.54 -1.46 2.88 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.295 1.438 . . . . 74.4 112.119 176.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -93.66 144.59 28.45 Favored Pre-proline 0 C--N 1.315 -0.907 0 O-C-N 121.349 -0.844 . . . . 75.34 111.416 -173.245 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.33 126.56 9.84 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 121.786 1.658 . . . . 62.31 110.42 166.063 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -78.81 132.54 36.9 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.475 -0.49 . . . . 63.21 110.155 178.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -136.67 119.85 16.67 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.101 -0.954 . . . . 74.01 109.418 177.499 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.2 t -136.27 149.46 48.48 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.587 -0.733 . . . . 71.12 109.066 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -108.69 12.3 25.89 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.967 0.413 . . . . 72.25 110.896 176.542 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.82 163.23 23.6 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 108.571 -0.9 . . . . 63.4 108.571 171.228 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 5.4 p-90 -65.58 151.39 46.56 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.292 0.37 . . . . 63.4 110.497 -178.382 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 p -137.7 -22.6 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 120.444 -0.502 . . . . 64.12 111.428 173.063 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -137.36 122.13 18.71 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.822 -0.436 . . . . 74.43 109.822 -172.365 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.81 110.43 14.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.548 -0.751 . . . . 72.14 110.162 177.232 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -100.63 108.14 22.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.121 0.486 . . . . 53.22 110.857 -179.353 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.11 131.17 47.18 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.412 0.625 . . . . 71.31 109.761 177.319 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 m -118.99 159.42 23.88 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.566 -1.197 . . . . 74.23 109.564 178.058 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.0 mt -122.99 105.09 9.67 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.418 0.628 . . . . 74.42 110.045 172.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -102.55 94.68 5.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.09 -0.959 . . . . 72.2 109.025 177.104 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.14 -124.03 6.27 Favored Glycine 0 N--CA 1.44 -1.04 0 N-CA-C 108.963 -1.655 . . . . 61.0 108.963 -164.047 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -118.73 76.0 1.07 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 122.498 1.142 . . . . 74.51 108.115 165.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.7 m -142.62 108.79 5.23 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 113.284 -1.78 . . . . 71.34 109.116 -172.497 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -77.82 99.42 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.669 -0.696 . . . . 74.41 109.525 179.169 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -116.7 113.31 22.45 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.705 -0.68 . . . . 61.44 109.591 -172.599 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -125.48 134.75 51.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.285 0.564 . . . . 64.42 111.724 -171.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 17.9 m-90 -111.18 124.84 53.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.026 -0.988 . . . . 74.33 109.092 171.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -108.89 128.34 54.83 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.422 0.629 . . . . 71.14 110.775 178.415 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -117.55 139.75 50.54 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.638 -1.165 . . . . 62.11 109.628 -178.247 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.5 m -72.44 161.44 30.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.164 -0.925 . . . . 62.53 110.514 178.199 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -59.97 -39.04 84.26 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.451 0.7 . . . . 54.41 110.503 176.451 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -42.79 99.64 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.781 0.676 . . . . 72.45 111.728 175.181 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.472 ' HB1' HD11 ' A' ' 91' ' ' LEU . . . -67.26 -36.57 81.86 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 123.774 0.671 . . . . 73.15 111.856 -179.287 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.1 -27.41 17.97 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 123.221 0.608 . . . . 64.42 112.086 178.212 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.29 -36.85 63.8 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.261 -0.274 . . . . 73.41 111.508 174.201 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -89.09 3.36 52.05 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 112.581 0.586 . . . . 43.44 112.581 -175.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.495 ' HB1' ' HB3' ' A' ' 89' ' ' TRP . . . -57.08 125.61 23.45 Favored 'General case' 0 CA--C 1.519 -0.221 0 O-C-N 123.931 0.769 . . . . 71.13 111.317 179.418 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -79.84 123.81 83.61 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.148 -0.933 . . . . 74.31 111.42 -171.001 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -67.92 122.63 9.76 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.07 1.847 . . . . 74.34 111.779 175.298 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -88.75 178.88 6.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.901 -0.591 . . . . 62.13 109.774 177.481 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.73 -16.05 61.19 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 111.932 0.345 . . . . 61.32 111.932 -179.161 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -73.65 -23.3 59.84 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.113 0.565 . . . . 63.22 111.428 176.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.29 -17.84 9.36 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 114.518 0.567 . . . . 75.22 114.518 174.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 3.8 mp0 -114.76 -10.12 12.45 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 117.098 0.449 . . . . 71.32 109.873 173.608 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.7 m -92.05 135.99 33.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.249 0.547 . . . . 51.22 110.401 178.465 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.543 ' CD1' HD13 ' A' ' 10' ' ' LEU . 70.6 m95 -128.27 125.21 38.41 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 115.284 -0.871 . . . . 73.01 110.39 -178.283 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -81.46 108.25 14.9 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.019 -0.734 . . . . 73.51 109.019 173.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.472 HD11 ' HB1' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -90.21 99.17 12.24 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 107.297 -1.372 . . . . 65.32 107.297 176.539 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.71 128.87 40.13 Favored 'General case' 0 N--CA 1.432 -1.332 0 CA-C-N 115.529 -0.76 . . . . 74.21 109.512 177.446 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.8 p -124.68 -172.91 2.67 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.605 -1.18 . . . . 74.24 109.615 -175.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -76.05 -16.27 80.8 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 116.104 -0.498 . . . . 71.53 111.882 170.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -88.28 -48.81 7.39 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.082 0.553 . . . . 72.24 110.835 179.155 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -178.42 -128.39 1.17 Allowed Glycine 0 C--N 1.341 0.85 0 C-N-CA 120.669 -0.777 . . . . 72.42 114.17 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -145.3 122.22 11.32 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.777 0.831 . . . . 74.41 110.196 -173.532 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.507 ' HB3' ' CG1' ' A' ' 22' ' ' ILE . 76.1 m-85 -131.33 115.01 15.7 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.773 -0.649 . . . . 74.05 109.714 -173.238 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -87.57 103.89 15.98 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 119.846 -0.742 . . . . 60.11 111.158 -173.157 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.653 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 78.2 mt -89.71 109.91 20.85 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 109.339 -0.615 . . . . 73.13 109.339 -177.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 30.3 ttp180 -110.24 116.2 31.06 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 121.357 0.599 . . . . 73.22 110.341 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.6 p -82.49 124.74 30.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.731 -1.122 . . . . 73.44 111.097 -176.156 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.7 mt -128.93 154.72 46.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.631 -1.168 . . . . 64.1 109.058 -176.096 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.05 179.47 44.31 Favored Glycine 0 C--O 1.239 0.457 0 C-N-CA 120.519 -0.848 . . . . 40.1 112.067 -177.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.46 24.59 1.91 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.963 0.411 . . . . 70.23 111.111 -179.288 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.2 t -124.71 110.78 25.92 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 N-CA-C 109.061 -0.718 . . . . 61.23 109.061 -173.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.2 m -43.09 116.75 0.95 Allowed 'General case' 0 N--CA 1.475 0.778 0 O-C-N 125.381 1.676 . . . . 65.13 113.534 175.336 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -106.98 101.12 10.57 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.056 0.455 . . . . 70.22 111.26 179.442 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.4 m -140.51 140.21 35.23 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.747 -0.66 . . . . 72.34 109.374 177.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -107.62 -111.08 3.49 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 120.523 -0.846 . . . . 40.24 114.131 -172.022 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -162.15 -45.39 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.794 0.438 . . . . 74.32 111.049 -171.501 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -169.16 -67.55 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 107.689 -1.226 . . . . 72.34 107.689 -177.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 C--O 1.252 1.212 0 N-CA-C 108.479 -0.934 . . . . 71.34 108.479 171.328 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.883 0 N-CA-C 111.938 -0.465 . . . . 51.45 111.938 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 p -123.51 -33.14 3.27 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.543 0.942 . . . . 63.31 113.543 -174.523 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -80.23 -35.4 36.2 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.934 0.716 . . . . 73.33 112.934 -171.479 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 63.6 mtm -80.3 124.08 28.54 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 107.381 -1.34 . . . . 64.52 107.381 170.528 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.56 -62.76 1.59 Allowed 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 118.419 -0.8 . . . . 63.44 109.543 -175.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 54.29 30.11 11.91 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.337 1.055 . . . . 72.21 113.176 171.278 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 62.16 -80.16 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.59 1.156 . . . . 74.04 110.698 -160.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.3 mtm105 66.94 105.32 0.04 OUTLIER 'General case' 0 CA--C 1.489 -1.367 0 C-N-CA 126.004 1.722 . . . . 71.45 111.878 178.268 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -93.4 169.86 10.05 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-N 113.8 -1.545 . . . . 73.12 107.096 165.831 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.562 HD13 ' CD1' ' A' ' 89' ' ' TRP . 22.1 tp -65.2 -24.59 67.4 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 110.174 -0.306 . . . . 70.23 110.174 175.222 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.6 HD11 HD22 ' A' ' 37' ' ' LEU . 43.8 tp -66.05 -29.97 70.41 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.618 0.767 . . . . 73.02 112.495 176.127 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -80.62 -35.75 33.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.08 0.467 . . . . 63.33 110.329 176.542 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.54 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 24.6 mm-40 -74.42 -29.4 61.49 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.533 0.938 . . . . 71.12 113.533 -175.426 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -74.94 -21.63 59.07 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.395 0.517 . . . . 53.33 112.395 -179.032 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -70.84 -31.26 67.92 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.528 0.518 . . . . 71.11 111.438 177.436 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -104.15 2.68 32.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.625 0.602 . . . . 44.15 112.625 -178.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.49 130.45 35.05 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.765 0.317 . . . . 45.54 111.397 -178.449 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.464 ' HB3' ' O ' ' A' ' 106' ' ' VAL . 16.9 m-20 -92.15 -38.92 11.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.915 0.865 . . . . 74.42 109.426 175.2 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.3 ttp -128.64 140.56 51.7 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.216 -1.356 . . . . 72.54 109.427 178.541 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 20' ' ' LEU . 14.0 mt -116.08 129.85 56.54 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.469 0.652 . . . . 73.14 110.172 173.644 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -104.42 146.03 29.42 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.301 -1.318 . . . . 72.33 108.746 176.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.54 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 16.3 tt -135.87 114.3 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.12 0 CA-C-O 121.724 0.773 . . . . 60.02 110.235 172.13 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 t70 63.22 24.9 14.56 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 114.286 -1.324 . . . . 72.31 111.841 176.211 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.64 -17.96 55.8 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 121.231 -0.509 . . . . 35.01 113.376 -178.685 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 tp -93.53 126.53 38.74 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.81 -0.441 . . . . 75.41 109.81 179.121 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -87.38 123.84 32.75 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.064 -0.516 . . . . 70.24 110.659 -174.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.31 131.54 35.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.877 -0.601 . . . . 73.13 110.293 178.555 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.7 p-90 -78.1 -28.39 48.66 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.108 0.48 . . . . 71.43 110.718 -176.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -134.18 134.82 42.54 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 121.785 0.802 . . . . 75.14 109.031 -179.232 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 40.7 p90 -133.12 152.59 51.94 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 113.906 -1.497 . . . . 62.33 107.808 169.693 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -129.45 133.13 47.15 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 109.087 -0.709 . . . . 74.31 109.087 -178.184 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.6 mt -101.63 136.75 40.95 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 107.76 -1.2 . . . . 60.5 107.76 176.089 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.568 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.5 t-20 -78.27 90.99 4.36 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 108.519 -0.919 . . . . 74.25 108.519 177.063 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -66.57 -36.41 82.59 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.84 0.856 . . . . 65.44 112.064 -172.217 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.421 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 23.7 t-20 -55.34 -50.56 69.34 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 124.391 1.057 . . . . 64.02 111.386 173.383 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.6 tp -77.68 -24.84 49.22 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 115.854 -0.612 . . . . 71.25 111.7 -176.252 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.6 HD22 HD11 ' A' ' 11' ' ' LEU . 21.0 mt -83.32 -22.57 32.86 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.196 0.443 . . . . 53.43 112.196 179.464 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.48 -38.82 84.98 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.559 -0.904 . . . . 70.41 108.559 171.052 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 35' ' ' ASN . 85.4 mt-30 -74.59 -30.2 61.6 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 114.981 -1.009 . . . . 74.13 111.99 177.852 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.93 -41.92 67.27 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.444 0.465 . . . . 64.12 111.855 -178.702 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -71.4 -36.88 71.51 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.747 -0.66 . . . . 61.3 110.487 176.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.65 -36.89 85.31 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.259 1.024 . . . . 52.42 111.692 178.066 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.27 -44.25 53.64 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.912 -0.586 . . . . 74.41 111.018 177.587 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.44 -36.8 83.55 Favored 'General case' 0 C--O 1.224 -0.238 0 O-C-N 124.042 0.839 . . . . 74.0 112.244 -179.186 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.48 -14.86 61.31 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.519 0.563 . . . . 73.33 112.519 177.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.95 11.58 37.2 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.263 0.225 . . . . 73.12 111.412 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.0 t70 75.53 -4.08 2.45 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 126.064 1.746 . . . . 64.24 112.576 177.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -78.98 124.07 84.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 121.692 -0.63 . . . . 71.42 110.203 -176.254 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -70.51 122.78 9.24 Favored 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 121.875 1.716 . . . . 74.14 110.996 174.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -89.62 120.05 30.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.359 0.6 . . . . 71.3 110.963 -170.297 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.56 121.93 39.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.371 -0.831 . . . . 62.23 110.106 177.742 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 p -145.07 134.15 22.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.545 0.688 . . . . 43.14 110.567 174.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -94.04 18.14 11.18 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.039 -0.982 . . . . 65.3 111.86 177.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -84.73 172.0 11.87 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 108.521 -0.918 . . . . 74.24 108.521 172.535 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.1 p-90 -77.0 157.07 31.42 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 120.878 0.37 . . . . 75.22 110.355 -179.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.502 HG23 HD21 ' A' ' 37' ' ' LEU . 13.6 p -133.42 -28.21 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.084 0.469 . . . . 55.21 111.096 175.495 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.98 126.6 36.45 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.499 -0.556 . . . . 72.21 109.499 -172.723 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 30' ' ' PHE . . . -128.62 102.41 6.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.253 -0.43 . . . . 75.43 109.944 173.214 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.428 HG23 ' HB2' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -101.82 116.1 44.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.81 -0.811 . . . . 71.5 108.81 179.697 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -113.76 135.09 54.33 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.83 0.824 . . . . 71.14 110.146 176.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.8 t -133.73 129.84 37.27 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.014 -0.993 . . . . 72.32 110.176 -175.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' A' ' 66' ' ' THR . 65.2 mt -87.46 107.89 18.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.095 0.474 . . . . 71.25 110.598 179.369 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -115.45 98.05 6.51 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.471 -0.786 . . . . 74.44 109.199 -176.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.59 -90.49 1.44 Allowed Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 114.984 -1.007 . . . . 45.13 111.366 -173.006 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -141.87 30.99 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.698 0.399 . . . . 73.33 111.369 -179.016 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 7.4 t -140.03 146.24 38.77 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.317 -0.553 . . . . 74.1 112.074 -178.531 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.9 mtm105 -85.33 103.82 14.6 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 108.071 -1.085 . . . . 75.54 108.071 167.171 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -89.84 115.34 27.09 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 106.656 -1.609 . . . . 75.02 106.656 172.094 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -124.21 127.86 48.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.317 0.58 . . . . 64.52 111.461 -167.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.428 ' HB2' HG23 ' A' ' 59' ' ' VAL . 8.8 m-90 -114.1 124.09 51.25 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.504 -0.925 . . . . 75.52 108.504 177.486 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -119.0 129.7 55.29 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.276 0.56 . . . . 63.12 109.968 178.593 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -115.32 145.15 42.77 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.883 -1.053 . . . . 74.01 110.575 -175.359 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.6 m -76.93 160.82 28.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.229 0.955 . . . . 72.33 110.228 175.476 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -63.43 -43.89 96.13 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.758 -0.656 . . . . 62.32 112.054 -176.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -76.58 -20.02 57.26 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.409 0.443 . . . . 73.43 112.066 -177.742 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.17 -40.36 86.61 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.026 0.441 . . . . 53.41 111.036 168.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.2 t -69.31 -29.22 41.54 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 C-N-CA 123.644 0.778 . . . . 72.0 111.752 172.674 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 19.2 mmt -67.12 -40.42 86.83 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.906 0.336 . . . . 73.3 111.906 175.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -91.43 2.23 56.56 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.593 0.59 . . . . 73.4 112.593 -178.839 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.21 121.28 13.3 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.321 0.581 . . . . 63.35 111.049 179.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -85.19 129.39 55.99 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 114.634 -1.166 . . . . 71.21 111.783 -168.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -66.38 125.75 14.47 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 121.931 1.754 . . . . 64.31 112.193 174.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -85.38 178.82 7.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.349 -0.841 . . . . 73.3 110.82 -179.306 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.83 -20.44 62.56 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.72 -0.673 . . . . 62.24 111.642 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -72.42 -23.86 61.15 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.727 -0.669 . . . . 75.11 111.193 173.491 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.06 -16.19 17.56 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 114.894 0.717 . . . . 52.24 114.894 175.449 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 101' ' ' ARG . 27.6 mt-10 -118.27 -13.11 9.87 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 117.342 0.571 . . . . 71.01 110.297 177.804 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.1 m -87.86 142.64 27.65 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.755 -0.657 . . . . 65.21 109.776 173.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.562 ' CD1' HD13 ' A' ' 10' ' ' LEU . 72.6 m95 -130.02 132.71 46.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.759 -0.655 . . . . 74.01 109.283 -178.174 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -86.38 105.57 16.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.434 -0.58 . . . . 74.34 109.434 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.44 100.75 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.158 -0.928 . . . . 70.35 108.778 174.693 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 t -90.26 121.33 32.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.03 0.919 . . . . 62.03 110.321 -179.714 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 73.1 p -122.11 -171.85 2.33 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.663 -1.153 . . . . 52.21 109.448 -178.087 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.82 -9.51 86.86 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 121.34 -0.457 . . . . 44.13 112.67 173.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -89.58 -50.31 6.16 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.697 -0.482 . . . . 72.12 109.697 176.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 173.03 -122.05 0.9 Allowed Glycine 0 C--N 1.335 0.523 0 CA-C-N 116.015 -0.539 . . . . 65.05 112.037 -177.272 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.2 123.0 15.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.354 0.597 . . . . 62.11 110.761 -175.164 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.439 ' HB3' HD11 ' A' ' 22' ' ' ILE . 88.8 m-85 -111.98 122.28 47.32 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.816 -1.083 . . . . 73.54 108.834 178.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.54 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 15.6 tt0 -88.73 101.71 14.27 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.588 -0.278 . . . . 70.13 110.745 -176.339 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.5 mt -91.49 110.42 21.73 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 109.409 -0.589 . . . . 71.42 109.409 178.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.457 ' HA ' ' O ' ' A' ' 87' ' ' GLU . 24.2 ttp180 -112.77 127.72 56.23 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.326 0.584 . . . . 75.53 110.495 -179.705 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.54 ' SG ' ' HB3' ' A' ' 13' ' ' GLU . 67.3 m -83.72 118.26 23.78 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.668 -1.151 . . . . 64.33 110.684 179.111 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.3 mt -119.05 155.54 31.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.316 -1.311 . . . . 74.05 110.158 -175.248 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -113.56 -164.94 15.78 Favored Glycine 0 N--CA 1.439 -1.123 0 C-N-CA 120.628 -0.796 . . . . 61.44 112.581 178.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 69.15 22.91 6.61 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.659 1.184 . . . . 74.0 113.733 168.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 87.5 t -119.69 89.9 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 107.578 -1.267 . . . . 70.32 107.578 171.143 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.2 m 61.81 -161.98 0.28 Allowed 'General case' 0 C--O 1.242 0.692 0 O-C-N 124.474 1.109 . . . . 51.31 109.246 -167.747 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -150.84 -52.25 0.13 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.262 0.554 . . . . 74.22 109.751 173.346 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.5 m -91.75 78.42 5.47 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.546 -0.752 . . . . 73.33 109.857 174.34 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -112.31 15.88 24.93 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.094 -0.957 . . . . 61.52 111.281 174.372 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -91.49 76.8 5.81 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.131 -0.692 . . . . 72.02 109.131 -177.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -84.15 89.38 7.29 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.473 -0.785 . . . . 70.4 109.559 -179.072 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 . . . . . 0 C--O 1.246 0.893 0 N-CA-C 108.529 -0.915 . . . . 61.12 108.529 -176.873 . . . . . . . . 0 0 . 1 stop_ save_